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(S)-2-(4-Chlorophenyl)-2-hydroxyacetic Acid

(S)-2-(4-Chlorophenyl)-2-hydroxyacetic Acid - CAS 76496-63-4

Catalog:	BB035588
Product Name:	(S)-2-(4-Chlorophenyl)-2-hydroxyacetic Acid
CAS:	76496-63-4
Synonyms:	(2S)-2-(4-chlorophenyl)-2-hydroxyacetic acid; (2S)-2-(4-chlorophenyl)-2-hydroxyacetic acid

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Computed Properties

IUPAC Name:	(2S)-2-(4-chlorophenyl)-2-hydroxyacetic acid
Description:	(S)-2-(4-Chlorophenyl)-2-hydroxyacetic Acid (CAS# 76496-63-4) is a useful research chemical.
Molecular Weight:	186.59
Molecular Formula:	C8H7ClO3
Canonical SMILES:	C1=CC(=CC=C1C(C(=O)O)O)Cl
InChI:	InChI=1S/C8H7ClO3/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,10H,(H,11,12)/t7-/m0/s1
InChI Key:	BWSFWXSSALIZAU-ZETCQYMHSA-N
MDL:	MFCD00798439
LogP:	1.45800

Publication Number	Title	Priority Date
CN-110373762-A	The preparation method of underwear anti-bacterial blended yarn	20190510
CN-109232237-A	The synthetic method of novel anti-trioxypurine compound Arhalofenate intermediate	20180912
US-2020069647-A1	RelA Inhibitors for Biofilm Disruption	20170517
EP-3500582-A1	Porous chiral materials and uses thereof	20160822
US-2020009531-A1	Porous chiral materials and uses thereof	20160822

PMID	Publication Date	Title	Journal
18074154	20080801	Preparation of (R)-(-)-mandelic acid and its derivatives from racemates by enantioselective degradation with a newly isolated bacterial strain Alcaligenes sp. ECU0401	Bioprocess and biosystems engineering
21201902	20080206	(R)-1-Phenyl-ethanaminium (S)-4-chloro-mandelate	Acta crystallographica. Section E, Structure reports online

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Complexity:	164
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	186.0083718
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	186.0083718
Rotatable Bond Count:	2
Topological Polar Surface Area:	57.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2