2-(2-Chlorophenyl)-2,2-difluoroacetic Acid - CAS 1150164-78-5

Catalog:	BB003463
Product Name:	2-(2-Chlorophenyl)-2,2-difluoroacetic Acid
CAS:	1150164-78-5
Synonyms:	2-(2-chlorophenyl)-2,2-difluoroacetic acid; 2-(2-chlorophenyl)-2,2-difluoroacetic acid

Technical Data

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Computed Properties

IUPAC Name:	2-(2-chlorophenyl)-2,2-difluoroacetic acid
Description:	2-(2-Chlorophenyl)-2,2-difluoroacetic Acid (CAS# 1150164-78-5) is a useful research chemical.
Molecular Weight:	206.57
Molecular Formula:	C8H5ClF2O2
Canonical SMILES:	C1=CC=C(C(=C1)C(C(=O)O)(F)F)Cl
InChI:	InChI=1S/C8H5ClF2O2/c9-6-4-2-1-3-5(6)8(10,11)7(12)13/h1-4H,(H,12,13)
InChI Key:	KKGDBVUFFAFBFG-UHFFFAOYSA-N
Storage:	Sealed in dry, 2-8 °C
LogP:	2.51640

Publication Number	Title	Priority Date
AU-2017260125-A1	Aromatic sulfonamide derivatives	20160503
AU-2017260125-A9	Aromatic sulfonamide derivatives	20160503
CA-3022793-A1	Aromatic sulfonamide derivatives	20160503
CN-109415321-A	Aromatic sulfonamides derivative	20160503
EP-3458443-A1	Aromatic sulfonamide derivatives	20160503

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Carbonyl Compounds

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[70199-62-1]
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[1018141-88-2]
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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:	208
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	205.9946134
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	205.9946134
Rotatable Bond Count:	2
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8