16555-60-5,MFCD00457852
Catalog No.:AA001W59

16555-60-5 | 2-(2-Chlorobenzamido)acetic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$92.00   $64.00
- +
5g
95%
in stock  
$449.00   $314.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA001W59
Chemical Name:
2-(2-Chlorobenzamido)acetic acid
CAS Number:
16555-60-5
Molecular Formula:
C9H8ClNO3
Molecular Weight:
213.6177
MDL Number:
MFCD00457852
SMILES:
OC(=O)CNC(=O)c1ccccc1Cl
Properties
Properties
 
BP:
441.9°C at 760 mmHg  
Form:
Solid  
MP:
179-181°C  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
232  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.4  

Downstream Synthesis Route

[1]CurrentPatentAssignee:TECHNIONISRAELINSTITUTEOFTECHNOLOGY-WO2008/23357,2008,A1Locationinpatent:Page/Pagecolumn69;Sheet19/26

[2]CurrentPatentAssignee:TECHNIONISRAELINSTITUTEOFTECHNOLOGY-US2010/29658,2010,A1Locationinpatent:Page/Pagecolumn32;33

[3]Kazaryan;Grigoryan;Paronikyan;Agaronyan;Gevondyan;Samvelyan[PharmaceuticalChemistryJournal,2001,vol.35,#9,p.485-487]

[4]Novello;Miriam;Sherwin[JournalofBiologicalChemistry,1926,vol.67,p.557]

[5]DeRuiter,Jack;Swearingen,BlakeE.;Wandrekar,Vinay;Mayfield,CharlesA.[JournalofMedicinalChemistry,1989,vol.32,#5,p.1033-1038]

[6]Locationinpatent:experimentalpartJin,Can;Chen,Jun;Su,Weike[Heterocycles,2011,vol.83,#1,p.153-161]

[7]Locationinpatent:experimentalpartKong,Hyesik;Kim,Hyunjeong;Do,Heejeong;Lee,Yonghyun;Hong,Sungchae;Yoon,Jeong-Hyun;Jung,Yunjin;Kim,YoungMi[BiopharmaceuticsandDrugDisposition,2011,vol.32,#6,p.343-354]

[8]Min,Ma;Xingjun,Jiang;Xueding,Wang;Hao,Zou;Weiqing,Yang;Yuanyuan,Zhang;Changrong,Peng;Zicheng,Li;Jing,Yang;Quan,Du;Menglin,Ma[ChemicalBiologyandDrugDesign,2016,p.451-459]

[9]Gu,Xiaoke;Zhang,Yinpeng;Zou,Yueting;Li,Xin;Guan,Mingyu;Zhou,Qingqing;Qiu,Jingying[BioorganicandMedicinalChemistry,2021,vol.29]

[10]Mancuso,Francesca;DeLuca,Laura;Bucolo,Federica;Vrabel,Milan;Angeli,Andrea;Capasso,Clemente;Supuran,ClaudiuT.;Gitto,Rosaria[ChemMedChem,2021,vol.16,#24,p.3787-3794]

[1]Hora,I.M.etal.[JournaloftheIndianChemicalSociety,1972,vol.49,p.901-905]

[1]Patent:US4148912,1979,A

[1]Locationinpatent:experimentalpartChavez,Flavio;Kennedy,Nicole;Rawalpally,Thimma;Williamson,R.Thomas;Cleary,Thomas[OrganicProcessResearchandDevelopment,2010,vol.14,#3,p.579-584]

Literature
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Tags:16555-60-5 Molecular Formula|16555-60-5 MDL|16555-60-5 SMILES|16555-60-5 2-(2-Chlorobenzamido)acetic acid
Catalog No.: AA001W59
16555-60-5,MFCD00457852
16555-60-5 | 2-(2-Chlorobenzamido)acetic acid
Pack Size: 1g
Purity: 95%
in stock
$92.00 $64.00
Pack Size: 5g
Purity: 95%
in stock
$449.00 $314.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA001W59
Chemical Name: 2-(2-Chlorobenzamido)acetic acid
CAS Number: 16555-60-5
Molecular Formula: C9H8ClNO3
Molecular Weight: 213.6177
MDL Number: MFCD00457852
SMILES: OC(=O)CNC(=O)c1ccccc1Cl
Properties
BP: 441.9°C at 760 mmHg  
Form: Solid  
MP: 179-181°C  
Storage: Keep in dry area;2-8℃;  
Complexity: 232  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 14  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 2  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.4  
Downstream Synthesis Route
609-65-4    56-40-6    16555-60-5 

[1]CurrentPatentAssignee:TECHNIONISRAELINSTITUTEOFTECHNOLOGY-WO2008/23357,2008,A1Locationinpatent:Page/Pagecolumn69;Sheet19/26

[2]CurrentPatentAssignee:TECHNIONISRAELINSTITUTEOFTECHNOLOGY-US2010/29658,2010,A1Locationinpatent:Page/Pagecolumn32;33

[3]Kazaryan;Grigoryan;Paronikyan;Agaronyan;Gevondyan;Samvelyan[PharmaceuticalChemistryJournal,2001,vol.35,#9,p.485-487]

[4]Novello;Miriam;Sherwin[JournalofBiologicalChemistry,1926,vol.67,p.557]

[5]DeRuiter,Jack;Swearingen,BlakeE.;Wandrekar,Vinay;Mayfield,CharlesA.[JournalofMedicinalChemistry,1989,vol.32,#5,p.1033-1038]

[6]Locationinpatent:experimentalpartJin,Can;Chen,Jun;Su,Weike[Heterocycles,2011,vol.83,#1,p.153-161]

[7]Locationinpatent:experimentalpartKong,Hyesik;Kim,Hyunjeong;Do,Heejeong;Lee,Yonghyun;Hong,Sungchae;Yoon,Jeong-Hyun;Jung,Yunjin;Kim,YoungMi[BiopharmaceuticsandDrugDisposition,2011,vol.32,#6,p.343-354]

[8]Min,Ma;Xingjun,Jiang;Xueding,Wang;Hao,Zou;Weiqing,Yang;Yuanyuan,Zhang;Changrong,Peng;Zicheng,Li;Jing,Yang;Quan,Du;Menglin,Ma[ChemicalBiologyandDrugDesign,2016,p.451-459]

[9]Gu,Xiaoke;Zhang,Yinpeng;Zou,Yueting;Li,Xin;Guan,Mingyu;Zhou,Qingqing;Qiu,Jingying[BioorganicandMedicinalChemistry,2021,vol.29]

[10]Mancuso,Francesca;DeLuca,Laura;Bucolo,Federica;Vrabel,Milan;Angeli,Andrea;Capasso,Clemente;Supuran,ClaudiuT.;Gitto,Rosaria[ChemMedChem,2021,vol.16,#24,p.3787-3794]

16555-60-5    1215-41-4    39052-65-8 

[1]Hora,I.M.etal.[JournaloftheIndianChemicalSociety,1972,vol.49,p.901-905]

16555-60-5    7200-25-1    54524-69-5 

[1]Patent:US4148912,1979,A

66824-94-0    16555-60-5 

[1]Locationinpatent:experimentalpartChavez,Flavio;Kennedy,Nicole;Rawalpally,Thimma;Williamson,R.Thomas;Cleary,Thomas[OrganicProcessResearchandDevelopment,2010,vol.14,#3,p.579-584]

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