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25700-04-3,MFCD06655340
Catalog No.:AA007M6B

25700-04-3 | 1-(4-(1H-1,2,4-Triazol-1-yl)phenyl)ethanone

Pack Size
Purity
Availability
Price(USD)
Quantity
  
25mg
97%
in stock  
$100.00   $70.00
- +
100mg
97%
in stock  
$350.00   $245.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA007M6B
Chemical Name:
1-(4-(1H-1,2,4-Triazol-1-yl)phenyl)ethanone
CAS Number:
25700-04-3
Molecular Formula:
C10H9N3O
Molecular Weight:
187.1980
MDL Number:
MFCD06655340
SMILES:
CC(=O)c1ccc(cc1)n1ncnc1
Properties
Computed Properties
 
Complexity:
211  
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:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.3  

Downstream Synthesis Route

[1]Taywade,Amol;Chavan,Snehal;Ulhe,Avinash;Berad,Baliram[SyntheticCommunications,2018,vol.48,#12,p.1443-1453]

[2]Antilla,JonC.;Baskin,JeremyM.;Barder,TimothyE.;Buchwald,StephenL.[JournalofOrganicChemistry,2004,vol.69,#17,p.5578-5587]

[3]Li,Zihao;Meng,Fei;Zhang,Jie;Xie,Jianwei;Dai,Bin[OrganicandBiomolecularChemistry,2016,vol.14,#46,p.10861-10865]

[4]Tubaro,Cristina;Biffis,Andrea;Scattolin,Elena;Basato,Marino[Tetrahedron,2008,vol.64,#19,p.4187-4195]

[5]Locationinpatent:experimentalpartBiffis,Andrea;Tubaro,Cristina;Scattolin,Elena;Basato,Marino;Papini,Grazia;Santini,Carlo;Alvarez,Eleuterio;Conejero,Salvador[DaltonTransactions,2009,#35,p.7223-7229]

[1]EuropeanJournalofMedicinalChemistry,2011,vol.46,p.4302-4310

Literature
Quotation Request
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SDS
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Tags:25700-04-3 Molecular Formula|25700-04-3 MDL|25700-04-3 SMILES|25700-04-3 1-(4-(1H-1,2,4-Triazol-1-yl)phenyl)ethanone
Catalog No.: AA007M6B
25700-04-3,MFCD06655340
25700-04-3 | 1-(4-(1H-1,2,4-Triazol-1-yl)phenyl)ethanone
Pack Size： 25mg
Purity： 97%
in stock
$100.00 $70.00
Pack Size： 100mg
Purity： 97%
in stock
$350.00 $245.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA007M6B
Chemical Name: 1-(4-(1H-1,2,4-Triazol-1-yl)phenyl)ethanone
CAS Number: 25700-04-3
Molecular Formula: C10H9N3O
Molecular Weight: 187.1980
MDL Number: MFCD06655340
SMILES: CC(=O)c1ccc(cc1)n1ncnc1
Properties
Complexity: 211  
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: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.3  
Downstream Synthesis Route
288-88-0    13329-40-3    25700-04-3 

[1]Taywade,Amol;Chavan,Snehal;Ulhe,Avinash;Berad,Baliram[SyntheticCommunications,2018,vol.48,#12,p.1443-1453]

[2]Antilla,JonC.;Baskin,JeremyM.;Barder,TimothyE.;Buchwald,StephenL.[JournalofOrganicChemistry,2004,vol.69,#17,p.5578-5587]

[3]Li,Zihao;Meng,Fei;Zhang,Jie;Xie,Jianwei;Dai,Bin[OrganicandBiomolecularChemistry,2016,vol.14,#46,p.10861-10865]

[4]Tubaro,Cristina;Biffis,Andrea;Scattolin,Elena;Basato,Marino[Tetrahedron,2008,vol.64,#19,p.4187-4195]

[5]Locationinpatent:experimentalpartBiffis,Andrea;Tubaro,Cristina;Scattolin,Elena;Basato,Marino;Papini,Grazia;Santini,Carlo;Alvarez,Eleuterio;Conejero,Salvador[DaltonTransactions,2009,#35,p.7223-7229]

27996-86-7    25700-04-3    1334929-35-9 

[1]EuropeanJournalofMedicinalChemistry,2011,vol.46,p.4302-4310

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