4-Amino-3-methyl-5-nitrobenzoic Acid - CAS 37901-94-3

Catalog:	BB023459
Product Name:	4-Amino-3-methyl-5-nitrobenzoic Acid
CAS:	37901-94-3
Synonyms:	4-amino-3-methyl-5-nitrobenzoic acid; 4-amino-3-methyl-5-nitrobenzoic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	4-amino-3-methyl-5-nitrobenzoic acid
Description:	4-Amino-3-methyl-5-nitrobenzoic Acid (CAS# 37901-94-3 ) is a useful research chemical.
Molecular Weight:	196.16
Molecular Formula:	C8H8N2O4
Canonical SMILES:	CC1=C(C(=CC(=C1)C(=O)O)[N+](=O)[O-])N
InChI:	InChI=1S/C8H8N2O4/c1-4-2-5(8(11)12)3-6(7(4)9)10(13)14/h2-3H,9H2,1H3,(H,11,12)
InChI Key:	QTGYCJNEAUXQNV-UHFFFAOYSA-N
LogP:	2.28800

Publication Number	Title	Priority Date
CN-112624979-A	Preparation method of benzimidazole compound	20191009
CN-102807568-A	Thiadiazole derivative DPP-IV (dipeptidyl peptidase IV) inhibitor	20110531
CN-102807568-B	Thiadiazoles derivative class DPP-IV inhibitor	20110531
TW-201100388-A	Process and intermediates for the preparation of benzimidazolecarboxylic acids	20090626
WO-2010149359-A1	Process and intermediates for the preparation of benzimidazolecarboxylic acids	20090626

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Complexity:	250
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	196.04840674
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	196.04840674
Rotatable Bond Count:	1
Topological Polar Surface Area:	109
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5