Home Amines 99767-45-0
99767-45-0,MFCD20485816
Catalog No.:AA00366R
99767-45-0 | 2-Amino-5-cyanobenzoic acid
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$83.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00366R
Chemical Name:
2-Amino-5-cyanobenzoic acid
CAS Number:
99767-45-0
Molecular Formula:
C8H6N2O2
Molecular Weight:
162.1454
MDL Number:
MFCD20485816
IUPAC Name:
2-amino-5-cyanobenzoic acid
InChI:
InChI=1S/C8H6N2O2/c9-4-5-1-2-7(10)6(3-5)8(11)12/h1-3H,10H2,(H,11,12)
InChI Key:
HQNZNIJPAYTWJK-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)C(=O)O)N
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:
0.7  

Synonyms
 
2-Amino-5-cyanobenzoic acid 
99767-45-0 
ANW-69862 
MFCD20485816 
ZINC82046816 
AKOS016001712 
CS-W005229 
DS-3636 
FCH1198559 
QC-1831 
OR400360 
SC-13542 
Benzoic acid, 2-amino-5-cyano- 
AB0049980 
AJ-124511 
AX8241771 
TC-158607 
4CH-012240 
ST24021971 
2-amino-5-cyano-benzoic Acid 
C8H6N2O2 
ACN-045720 
CID10057817 
AK100858 
SCHEMBL634467 
CTK8C3244 
KS-00000QVS 
DTXSID00434821 
HQNZNIJPAYTWJK-UHFFFAOYSA-N 
6998AC 
Literature
Quotation Request
Company Name:
*
Contact Person:
*
Email:
*
Quantity Required:
*
Additional Info: