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Home Aminos Benzoic acid,2-(methylamino)-5-nitro-

Benzoic acid,2-(methylamino)-5-nitro-

CAS No.:
3484-33-1
Catalog Number:
AG007H77
Molecular Formula:
C8H8N2O4
Molecular Weight:
196.1601
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Product Description
Catalog Number:
AG007H77
Chemical Name:
Benzoic acid,2-(methylamino)-5-nitro-
CAS Number:
3484-33-1
Molecular Formula:
C8H8N2O4
Molecular Weight:
196.1601
MDL Number:
MFCD00956206
IUPAC Name:
2-(methylamino)-5-nitrobenzoic acid
InChI:
InChI=1S/C8H8N2O4/c1-9-7-3-2-5(10(13)14)4-6(7)8(11)12/h2-4,9H,1H3,(H,11,12)
InChI Key:
FAVDVRYGVZMEFI-UHFFFAOYSA-N
SMILES:
CNc1ccc(cc1C(=O)O)[N+](=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:
1.9  
Literature
Title Journal
2-Amino-5-nitro-benzoic acid. Acta crystallographica. Section E, Structure reports online 20120201
5-Chloro-2-hy-droxy-benzoic acid. Acta crystallographica. Section E, Structure reports online 20101101
2-Methyl-amino-5-nitro-benzoic acid. Acta crystallographica. Section E, Structure reports online 20100601
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties