2-Chloro-5-fluorophenylacetic Acid - CAS 177985-33-0

Catalog:	BB013367
Product Name:	2-Chloro-5-fluorophenylacetic Acid
CAS:	177985-33-0
Synonyms:	2-(2-chloro-5-fluorophenyl)acetic acid; 2-(2-chloro-5-fluorophenyl)acetic acid

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Computed Properties

IUPAC Name:	2-(2-chloro-5-fluorophenyl)acetic acid
Description:	2-Chloro-5-fluorophenylacetic Acid (CAS# 177985-33-0) is a useful research chemical.
Molecular Weight:	188.58
Molecular Formula:	C8H6ClFO2
Canonical SMILES:	C1=CC(=C(C=C1F)CC(=O)O)Cl
InChI:	InChI=1S/C8H6ClFO2/c9-7-2-1-6(10)3-5(7)4-8(11)12/h1-3H,4H2,(H,11,12)
InChI Key:	VFUKAVLGRHSSPG-UHFFFAOYSA-N
Boiling Point:	211.4 °C at 760 mmHg
Density:	1.486 g/cm³
MDL:	MFCD01016155
LogP:	2.10620

Publication Number	Title	Priority Date
WO-2021136238-A1	Fused ring compound and application thereof	20191230
US-2020207719-A1	Compounds for use as therapeutically active substances in the treatment of retinal diseases	20181228
US-10752593-B2	Compounds for use as therapeutically active substances in the treatment of retinal diseases	20181228
WO-2020140043-A1	Compounds for use as therapeutically active substances in the treatment and/or prevention of neuroretinal diseases	20181228
CN-113301958-A	Compounds for use as therapeutically active substances in the treatment and/or prevention of neuroretinal diseases	20181228

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Related Functional Groups

Carbonyl Compounds

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[1006443-01-1]
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[253429-30-0]
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2-(3-Chlorophenyl)cyclopropanecarboxylic Acid
[2168559-63-3]
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride

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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:	174
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	188.0040353
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	188.0040353
Rotatable Bond Count:	2
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1