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3-Chloro-alpha,alpha-difluorobenzeneacetic Acid

3-Chloro-alpha,alpha-difluorobenzeneacetic Acid - CAS 1027513-91-2

Catalog:	BB000938
Product Name:	3-Chloro-alpha,alpha-difluorobenzeneacetic Acid
CAS:	1027513-91-2
Synonyms:	2-(3-chlorophenyl)-2,2-difluoroacetic acid; 2-(3-chlorophenyl)-2,2-difluoroacetic acid

Technical Data

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Computed Properties

IUPAC Name:	2-(3-chlorophenyl)-2,2-difluoroacetic acid
Description:	3-Chloro-alpha,alpha-difluorobenzeneacetic Acid (CAS# 1027513-91-2) is a useful research chemical.
Molecular Weight:	206.57
Molecular Formula:	C8H5ClF2O2
Canonical SMILES:	C1=CC(=CC(=C1)Cl)C(C(=O)O)(F)F
InChI:	InChI=1S/C8H5ClF2O2/c9-6-3-1-2-5(4-6)8(10,11)7(12)13/h1-4H,(H,12,13)
InChI Key:	RVWPKAZAYUYMND-UHFFFAOYSA-N

Publication Number	Title	Priority Date
WO-2021170886-A2	Electronic device	20200806
US-2019185427-A1	Difluoroketamide derivatives as htra1 inhibitors	20160823
US-11001555-B2	Difluoroketamide derivatives as HTRA1 inhibitors	20160823
EP-3423467-A1	New difluoroketamide derivatives as htra1 inhibitors	20160304
EP-3423469-A1	New trifluoromethylpropanamide derivatives as htra1 inhibitors	20160304

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[87-88-7]
Chloranilic acid
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate

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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:	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