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31676-66-1,MFCD06410394
Catalog No.:AA00CISX

31676-66-1 | 6-(4-Chlorophenyl)nicotinic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
98%
in stock  
$311.00   $218.00
- +
1g
98%
in stock  
$760.00   $532.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00CISX
Chemical Name:
6-(4-Chlorophenyl)nicotinic acid
CAS Number:
31676-66-1
Molecular Formula:
C12H8ClNO2
Molecular Weight:
233.6504
MDL Number:
MFCD06410394
SMILES:
Clc1ccc(cc1)c1ccc(cn1)C(=O)O
Properties
Properties
 
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
251  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
2.7  

Downstream Synthesis Route

[1]Ohnmacht,StephanA.;Brenstrum,Tim;Bleicher,KonradH.;McNulty,James;Capretta,Alfredo[TetrahedronLetters,2004,vol.45,#29,p.5661-5663]

925242-62-2    31676-66-1   
6-(4-chloro-phenyl)-<i>N</i>-(6-dimethylaminomethyl-1,2,3,4-tetrahydro-naphthalen-2-yl)-<i>N</i>-methyl-nicotinamide 

[1]Meyers,KennethM.;Kim,Nicholas;Mendez-Andino,JoseL.;Hu,X.Eric;Mumin,RashidN.;Klopfenstein,SeanR.;Wos,JohnA.;Mitchell,MariaC.;Paris,JenniferL.;Ackley,DavidC.;Holbert,JerryK.;Mittelstadt,ScottW.;Reizes,Ofer[BioorganicandMedicinalChemistryLetters,2007,vol.17,#3,p.814-818]

[1]Locationinpatent:experimentalpartKamata,Makoto;Yamashita,Toshiro;Imaeda,Toshihiro;Tanaka,Toshio;Masada,Shinichi;Kamaura,Masahiro;Kasai,Shizuo;Hara,Ryoma;Sasaki,Shigekazu;Takekawa,Shiro;Asami,Asano;Kaisho,Tomoko;Suzuki,Nobuhiro;Ashina,Shuntaro;Ogino,Hitomi;Nakano,Yoshihide;Nagisa,Yasutaka;Kato,Koki;Kato,Kaneyoshi;Ishihara,Yuji[JournalofMedicinalChemistry,2012,vol.55,#5,p.2353-2366]

Literature
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SDS
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Tags:31676-66-1 Molecular Formula|31676-66-1 MDL|31676-66-1 SMILES|31676-66-1 6-(4-Chlorophenyl)nicotinic acid