Home Nitros 3-Amino-4-methyl-2-nitrobenzoic acid

3-Amino-4-methyl-2-nitrobenzoic acid

CAS No.:
37901-90-9
Catalog Number:
AG0077A2
Molecular Formula:
C8H8N2O4
Molecular Weight:
196.1601
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG0077A2
Chemical Name:
3-Amino-4-methyl-2-nitrobenzoic acid
CAS Number:
37901-90-9
Molecular Formula:
C8H8N2O4
Molecular Weight:
196.1601
MDL Number:
MFCD01098202
IUPAC Name:
3-amino-4-methyl-2-nitrobenzoic acid
InChI:
InChI=1S/C8H8N2O4/c1-4-2-3-5(8(11)12)7(6(4)9)10(13)14/h2-3H,9H2,1H3,(H,11,12)
InChI Key:
JLWAVVAJFWDXEF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(ccc(c1N)C)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:
1.5  
Properties