2-Chloro-4-fluorophenylacetic Acid - CAS 177985-32-9

Catalog:	BB013366
Product Name:	2-Chloro-4-fluorophenylacetic Acid
CAS:	177985-32-9
Synonyms:	2-(2-chloro-4-fluorophenyl)acetic acid; 2-(2-chloro-4-fluorophenyl)acetic acid

Technical Data

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Computed Properties

IUPAC Name:	2-(2-chloro-4-fluorophenyl)acetic acid
Description:	2-Chloro-4-fluorophenylacetic Acid (CAS# 177985-32-9) is a useful research chemical.
Molecular Weight:	188.58
Molecular Formula:	C8H6ClFO2
Canonical SMILES:	C1=CC(=C(C=C1F)Cl)CC(=O)O
InChI:	InChI=1S/C8H6ClFO2/c9-7-4-6(10)2-1-5(7)3-8(11)12/h1-2,4H,3H2,(H,11,12)
InChI Key:	CDUSPKFHAVQVRQ-UHFFFAOYSA-N
Boiling Point:	292.8 °C at 760 mmHg
Density:	1.417 g/cm³
Appearance:	Powder
MDL:	MFCD00236028
LogP:	2.10620

Publication Number	Title	Priority Date
WO-2021170886-A2	Electronic device	20200806
WO-2021163519-A1	Substituted 5,6-diphenyl-3(2h)-pyridazinones for use as fungicides	20200214
WO-2021136238-A1	Fused ring compound and application thereof	20191230
AU-2017260125-A1	Aromatic sulfonamide derivatives	20160503
AU-2017260125-A9	Aromatic sulfonamide derivatives	20160503

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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:	2.4