2-Amino-4-nitro-5-methoxybenzoic Acid - CAS 196194-99-7

Catalog:	BB015188
Product Name:	2-Amino-4-nitro-5-methoxybenzoic Acid
CAS:	196194-99-7
Synonyms:	2-amino-5-methoxy-4-nitrobenzoic acid; 2-amino-5-methoxy-4-nitrobenzoic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	2-amino-5-methoxy-4-nitrobenzoic acid
Description:	2-Amino-4-nitro-5-methoxybenzoic Acid (CAS# 196194-99-7) is a useful research chemical.
Molecular Weight:	212.16
Molecular Formula:	C8H8N2O5
Canonical SMILES:	COC1=C(C=C(C(=C1)C(=O)O)N)[N+](=O)[O-]
InChI:	InChI=1S/C8H8N2O5/c1-15-7-2-4(8(11)12)5(9)3-6(7)10(13)14/h2-3H,9H2,1H3,(H,11,12)
InChI Key:	SDGOTDAQMBDEOT-UHFFFAOYSA-N
Boiling Point:	470.8 °C at 760 mmHg
Density:	1.514 g/cm³
LogP:	1.98820

Publication Number	Title	Priority Date
MX-2007001135-A	DERIVATIVES OF QUINAZOLINA.	20040727
AU-2003281027-A1	Urea-substituted and urethane-substituted acylureas, methods for the production thereof and their use as medicaments	20020711
CA-2493373-A1	Urea-substituted and urethane-substituted acylureas, methods for the production thereof and their use as medicaments	20020711
EP-1523471-A1	Urea-substituted and urethane-substituted acylureas, methods for the production thereof and their use as medicaments	20020711
EP-1523471-B1	Urea-substituted and urethane-substituted acylureas, methods for the production thereof and their use as medicaments	20020711

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Complexity:	264
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	212.04332136
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	212.04332136
Rotatable Bond Count:	2
Topological Polar Surface Area:	118
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6