(5-Chloro-2-nitrophenyl)acetic Acid - CAS 22908-28-7

Catalog:	BB017810
Product Name:	(5-Chloro-2-nitrophenyl)acetic Acid
CAS:	22908-28-7
Synonyms:	2-(5-chloro-2-nitrophenyl)acetic acid; 2-(5-chloro-2-nitrophenyl)acetic acid

Technical Data

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Computed Properties

IUPAC Name:	2-(5-chloro-2-nitrophenyl)acetic acid
Description:	(5-Chloro-2-nitrophenyl)acetic Acid (CAS# 22908-28-7) is a useful research chemical.
Molecular Weight:	215.59
Molecular Formula:	C8H6ClNO4
Canonical SMILES:	C1=CC(=C(C=C1Cl)CC(=O)O)[N+](=O)[O-]
InChI:	InChI=1S/C8H6ClNO4/c9-6-1-2-7(10(13)14)5(3-6)4-8(11)12/h1-3H,4H2,(H,11,12)
InChI Key:	ISSGDBWGQCOTNA-UHFFFAOYSA-N
Appearance:	Solid
LogP:	2.39850

Publication Number	Title	Priority Date
TW-201938170-A	Triazolobenzopyrene as a vasopressin V1a receptor antagonist	20171215
WO-2019116324-A1	Triazolobenzazepines as vasopressin v1a receptor antagonists	20171215
AU-2018385724-A1	Triazolobenzazepines as vasopressin V1a receptor antagonists	20171215
BR-112020011880-A2	compound, pharmaceutical and combination compositions, process for preparing a pharmaceutical composition, use of a compound, method for treating and / or preventing a disease or condition associated with v1a receptor function, and, combination.	20171215
CN-111479813-A	Triazolobenzazepines as vasopressin V1A receptor antagonists	20171215

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Complexity:	240
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	214.9985354
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	214.9985354
Rotatable Bond Count:	2
Topological Polar Surface Area:	83.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8