Home Aminos Benzoic acid, 2-(methylamino)-3-nitro- (9CI)

Benzoic acid, 2-(methylamino)-3-nitro- (9CI)

CAS No.:
124341-38-4
Catalog Number:
AG00A3PQ
Molecular Formula:
C8H8N2O4
Molecular Weight:
196.1601
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Product Description
Catalog Number:
AG00A3PQ
Chemical Name:
Benzoic acid, 2-(methylamino)-3-nitro- (9CI)
CAS Number:
124341-38-4
Molecular Formula:
C8H8N2O4
Molecular Weight:
196.1601
MDL Number:
MFCD18825890
IUPAC Name:
2-(methylamino)-3-nitrobenzoic acid
InChI:
InChI=1S/C8H8N2O4/c1-9-7-5(8(11)12)3-2-4-6(7)10(13)14/h2-4,9H,1H3,(H,11,12)
InChI Key:
XVZUJCYLGIJDPE-UHFFFAOYSA-N
SMILES:
CNc1c(cccc1[N+](=O)[O-])C(=O)O
Properties
Complexity:
238  
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:
2  
Topological Polar Surface Area:
95.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties