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1193387-31-3,MFCD12912801
Catalog No.:AA01EK4U

1193387-31-3 | 6-fluoro-1H-1,3-benzodiazole-4-carboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$179.00   $125.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA01EK4U
Chemical Name:
6-fluoro-1H-1,3-benzodiazole-4-carboxylic acid
CAS Number:
1193387-31-3
Molecular Formula:
C8H5FN2O2
Molecular Weight:
180.1359
MDL Number:
MFCD12912801
SMILES:
Fc1cc(C(=O)O)c2c(c1)[nH]cn2
Properties
Computed Properties
 
Complexity:
224  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.1  

Downstream Synthesis Route

[1]Locationinpatent:experimentalpartNichols,DerekA.;Jaishankar,Priyadarshini;Larson,Wayne;Smith,Emmanuel;Liu,Guoqing;Beyrouthy,Racha;Bonnet,Richard;Renslo,AdamR.;Chen,Yu[JournalofMedicinalChemistry,2012,vol.55,#5,p.2163-2172]

Literature
Quotation Request
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SDS
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Tags:1193387-31-3 Molecular Formula|1193387-31-3 MDL|1193387-31-3 SMILES|1193387-31-3 6-fluoro-1H-1,3-benzodiazole-4-carboxylic acid
Catalog No.: AA01EK4U
1193387-31-3,MFCD12912801
1193387-31-3 | 6-fluoro-1H-1,3-benzodiazole-4-carboxylic acid
Pack Size： 100mg
Purity： 95%
in stock
$179.00 $125.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA01EK4U
Chemical Name: 6-fluoro-1H-1,3-benzodiazole-4-carboxylic acid
CAS Number: 1193387-31-3
Molecular Formula: C8H5FN2O2
Molecular Weight: 180.1359
MDL Number: MFCD12912801
SMILES: Fc1cc(C(=O)O)c2c(c1)[nH]cn2
Properties
Complexity: 224  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 13  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 2  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.1  
Downstream Synthesis Route
73732-51-1    1193387-31-3    1357582-10-5 

[1]Locationinpatent:experimentalpartNichols,DerekA.;Jaishankar,Priyadarshini;Larson,Wayne;Smith,Emmanuel;Liu,Guoqing;Beyrouthy,Racha;Bonnet,Richard;Renslo,AdamR.;Chen,Yu[JournalofMedicinalChemistry,2012,vol.55,#5,p.2163-2172]

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Submit
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