4-Amino-2-nitrobenzoic Acid - CAS 610-36-6

Catalog:	BB030914
Product Name:	4-Amino-2-nitrobenzoic Acid
CAS:	610-36-6
Synonyms:	4-amino-2-nitrobenzoic acid; 4-amino-2-nitrobenzoic acid

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Computed Properties

IUPAC Name:	4-amino-2-nitrobenzoic acid
Description:	4-Amino-2-nitrobenzoic Acid (CAS# 610-36-6) is a useful research chemical.
Molecular Weight:	182.14
Molecular Formula:	C7H6N2O4
Canonical SMILES:	C1=CC(=C(C=C1N)[N+](=O)[O-])C(=O)O
InChI:	InChI=1S/C7H6N2O4/c8-4-1-2-5(7(10)11)6(3-4)9(12)13/h1-3H,8H2,(H,10,11)
InChI Key:	SAJYSJVBNGUWJK-UHFFFAOYSA-N
Boiling Point:	440.9 °C at 760 mmHg
Density:	1.568 g/cm³
MDL:	MFCD00189376
LogP:	1.97960

Publication Number	Title	Priority Date
WO-2020263703-A1	Enhancement of nucleic acid polymerization by aromatic compounds	20190626
CN-109804306-A	Light orientation copolymer material	20161011
JP-2019531398-A	Photo-alignment copolymer material	20161011
KR-20190067847-A	Photo-oriented copolymer material	20161011
TW-201823317-A	Photoaligning copolymer materials	20161011

PMID	Publication Date	Title	Journal
16097390	20050101	Urinary metabolites of workers exposed to nitrotoluenes	Biomarkers : biochemical indicators of exposure, response, and susceptibility to chemicals

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	225
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	182.03275668
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	182.03275668
Rotatable Bond Count:	1
Topological Polar Surface Area:	109 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8