Benzoic acid, 2-amino-5-cyano-


Chemical Name: Benzoic acid, 2-amino-5-cyano-
CAS Number: 99767-45-0
Product Number: AG00369J(AGN-PC-0MY1DQ)
Synonyms:
MDL No:
Molecular Formula: C8H6N2O2
Molecular Weight: 162.1454

Identification/Properties


Properties
Storage:
Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
162.148g/mol
XLogP3:
0.7
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
162.043g/mol
Monoisotopic Mass:
162.043g/mol
Topological Polar Surface Area:
87.1A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
231
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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