α-Bromophenylacetic acid - CAS 4870-65-9

Catalog:	BB026582
Product Name:	α-Bromophenylacetic acid
CAS:	4870-65-9
Synonyms:	2-bromo-2-phenylacetic acid

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Computed Properties

IUPAC Name:	2-bromo-2-phenylacetic acid
Description:	2-Bromo-2-phenylacetic Acid can be used as an inhibitor of mammalian collagenase and elastase.
Molecular Weight:	215.04
Molecular Formula:	C8H7BrO2
Canonical SMILES:	C1=CC=C(C=C1)C(C(=O)O)Br
InChI:	InChI=1S/C8H7BrO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,(H,10,11)
InChI Key:	WAKFRZBXTKUFIW-UHFFFAOYSA-N
Boiling Point:	286.7 °C at 760 mmHg
Density:	1.643 g/cm³
Appearance:	Beige crystalline powder
MDL:	MFCD00004206
LogP:	2.20720

Publication Number	Title	Priority Date
CN-112142912-A	Preparation method of ultra-high molecular weight anionic polyacrylamide	20200922
CN-112225839-A	Method for synthesizing ultra-high molecular weight polymethyl methacrylate	20200922
CN-112430203-A	Water-soluble trithiocarbonate RAFT agent and preparation method and application thereof	20200911
CN-112028900-A	Synthesis of star polymer and monomolecular micelle by light-operated in-situ bromine-iodine conversion RDRP method	20200910
CN-112028900-B	Synthesis of star polymer and monomolecular micelle by light-operated in-situ bromine-iodine conversion RDRP method	20200910

PMID	Publication Date	Title	Journal
16294251	20051207	Copper(II)-mediated resolution of alpha-halo carboxylic acids with chiral O,O'-dibenzoyltartaric acid: spontaneous racemization and crystallization-induced dynamic resolution	Organic & biomolecular chemistry

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Related Functional Groups

Carbonyl Compounds

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[87-88-7]
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[1427004-19-0]
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[959574-98-2]
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[70199-62-1]
(4-Pyridyl)acetone Hydrochloride

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P261, P264, P271, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	141
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	213.96294
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	213.96294
Rotatable Bond Count:	2
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3