2-(3-Bromophenyl)-2,2-difluoroacetic Acid - CAS 885068-76-8

Catalog:	BB038897
Product Name:	2-(3-Bromophenyl)-2,2-difluoroacetic Acid
CAS:	885068-76-8
Synonyms:	2-(3-bromophenyl)-2,2-difluoroacetic acid; 2-(3-bromophenyl)-2,2-difluoroacetic acid

Technical Data

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Computed Properties

IUPAC Name:	2-(3-bromophenyl)-2,2-difluoroacetic acid
Description:	2-(3-Bromophenyl)-2,2-difluoroacetic Acid (CAS# 885068-76-8) is a useful research chemical compound.
Molecular Weight:	251.02
Molecular Formula:	C8H5BrF2O2
Canonical SMILES:	C1=CC(=CC(=C1)Br)C(C(=O)O)(F)F
InChI:	InChI=1S/C8H5BrF2O2/c9-6-3-1-2-5(4-6)8(10,11)7(12)13/h1-4H,(H,12,13)
InChI Key:	CYIBFFJUPHCMOO-UHFFFAOYSA-N
LogP:	2.62550

Publication Number	Title	Priority Date
KR-20200032002-A	Novel thiazole derivatives and pharmaceutically acceptable salts thereof	20180917
WO-2020060112-A1	Novel thiazole derivatives and pharmaceutically acceptable salts thereof	20180917
KR-102130253-B1	Novel thiazole derivatives and pharmaceutically acceptable salts thereof	20180917
KR-20200078465-A	Novel thiazole derivatives and pharmaceutically acceptable salts thereof	20180917
TW-202023548-A	Novel thiazole derivatives and pharmaceutically acceptable salts thereof	20180917

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GHS Hazard Statement:	H314 (98.9%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	208
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	249.94410
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	249.94410
Rotatable Bond Count:	2
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8