3-Chloro-5-nitrobenzoic Acid - CAS 34662-36-7

Catalog:	BB022231
Product Name:	3-Chloro-5-nitrobenzoic Acid
CAS:	34662-36-7
Synonyms:	3-chloro-5-nitrobenzoic acid; 3-chloro-5-nitrobenzoic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3-chloro-5-nitrobenzoic acid
Description:	3-Chloro-5-nitrobenzoic Acid (CAS# 34662-36-7) is a useful research chemical.
Molecular Weight:	201.56
Molecular Formula:	C7H4ClNO4
Canonical SMILES:	C1=C(C=C(C=C1[N+](=O)[O-])Cl)C(=O)O
InChI:	InChI=1S/C7H4ClNO4/c8-5-1-4(7(10)11)2-6(3-5)9(12)13/h1-3H,(H,10,11)
InChI Key:	YLQAJBKACBLUCM-UHFFFAOYSA-N
Boiling Point:	351.1 °C at 760 mmHg
Density:	1.602 g/cm³
Appearance:	Solid
LogP:	2.46960

Publication Number	Title	Priority Date
WO-2021143924-A1	Boric acid derivative	20200119
CN-112119077-A	Kinase inhibitors	20180515
AU-2016243527-A1	Maytansinoid derivatives, conjugates thereof, and methods of use	20150327
CA-2978340-A1	Maytansinoid derivatives, conjugates thereof, and methods of use	20150327
EP-3273998-A1	Maytansinoid derivatives, conjugates thereof, and methods of use	20150327

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Related Functional Groups

Carbonyl Compounds

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[51493-02-8]
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[1383427-98-2]
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[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[35153-16-3]
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[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	227
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	200.9828853
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	200.9828853
Rotatable Bond Count:	1
Topological Polar Surface Area:	83.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2