Home Amines 1000341-18-3
1000341-18-3,MFCD09263225
Catalog No.:AA0000D3
Benzoic acid, 3-amino-5-cyano- | 1000341-18-3
Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$366.00
- +
1g
95%
in stock  
$471.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0000D3
Chemical Name:
Benzoic acid, 3-amino-5-cyano-
CAS Number:
1000341-18-3
Molecular Formula:
C8H6N2O2
Molecular Weight:
162.1454
MDL Number:
MFCD09263225
IUPAC Name:
3-amino-5-cyanobenzoic acid
InChI:
InChI=1S/C8H6N2O2/c9-4-5-1-6(8(11)12)3-7(10)2-5/h1-3H,10H2,(H,11,12)
InChI Key:
CCWVOHSNQZFXQU-UHFFFAOYSA-N
SMILES:
N#Cc1cc(N)cc(c1)C(=O)O
Properties
Computed Properties
 
Complexity:
231  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.043g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
162.148g/mol
Monoisotopic Mass:
162.043g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
87.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  

Synonyms
 
3-AMINO-5-CYANOBENZOIC ACID 
1000341-18-3 
W-1069 
3-amino-5-cyano-benzoic acid methyl ester 
199536-01-1 
3-Amino-5-cyanorobenzoic acid 
Benzoic acid, 3-amino-5-cyano- 
SCHEMBL13674520 
ZINC14985993 
AKOS006330681 
AB50174 
CS-13384 
CS-0030477 
Literature
Quotation Request
Company Name:
*
Contact Person:
*
Email:
*
Quantity Required:
*
Additional Info: