Home Nitros Benzoic acid, 3-aMino-4-Methyl-5-nitro-

Benzoic acid, 3-aMino-4-Methyl-5-nitro-

CAS No.:
54591-62-7
Catalog Number:
AG00DLYZ
Molecular Formula:
C8H8N2O4
Molecular Weight:
196.1601
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00DLYZ
Chemical Name:
Benzoic acid, 3-aMino-4-Methyl-5-nitro-
CAS Number:
54591-62-7
Molecular Formula:
C8H8N2O4
Molecular Weight:
196.1601
MDL Number:
MFCD00456404
IUPAC Name:
3-amino-4-methyl-5-nitrobenzoic acid
InChI:
InChI=1S/C8H8N2O4/c1-4-6(9)2-5(8(11)12)3-7(4)10(13)14/h2-3H,9H2,1H3,(H,11,12)
InChI Key:
LHZXZCIDEFEXPM-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(cc(c1C)N)C(=O)O
Properties
Complexity:
250  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.048g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
196.162g/mol
Monoisotopic Mass:
196.048g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties