2-Chloromandelic acid - CAS 10421-85-9

Name: 2-Chloromandelic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB001360
Product Name:	2-Chloromandelic acid
CAS:	10421-85-9
Synonyms:	2-(2-chlorophenyl)-2-hydroxyacetic acid

Technical Data

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Computed Properties

IUPAC Name:	2-(2-chlorophenyl)-2-hydroxyacetic acid
Description:	2-Chloromandelic acid (CAS# 10421-85-9) is a useful research chemical.
Molecular Weight:	186.59
Molecular Formula:	C8H7ClO3
Canonical SMILES:	C1=CC=C(C(=C1)C(C(=O)O)O)Cl
InChI:	InChI=1S/C8H7ClO3/c9-6-4-2-1-3-5(6)7(10)8(11)12/h1-4,7,10H,(H,11,12)
InChI Key:	RWOLDZZTBNYTMS-UHFFFAOYSA-N
Boiling Point:	350.3 °C at 760 mmHg
Melting Point:	80-85 °C
Purity:	95 %
Density:	1.468 g/cm³
Appearance:	White crystalline powder
Storage:	Store in a cool, dry place. Store in a tightly closed container.
MDL:	MFCD00084962
LogP:	1.45800

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Related Functional Groups

Carbonyl Compounds

[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride
[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[956439-56-8]C6H5N3O6
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Publication Number	Title	Priority Date
CN-112358530-A	Polypeptide tag, highly soluble recombinant nitrilase and application of polypeptide tag and highly soluble recombinant nitrilase in synthesis of medicinal chemicals	20201103
CN-112358530-B	Polypeptide tag, highly soluble recombinant nitrilase and application of polypeptide tag and highly soluble recombinant nitrilase in synthesis of medicinal chemicals	20201103
CN-111778199-A	Bacillus subtilis and application thereof	20200907
CN-111778199-B	Bacillus subtilis and application thereof	20200907
CN-111848497-A	Clopidogrel active metabolite derivative, prodrug thereof, preparation method and application thereof	20200728

PMID	Publication Date	Title	Journal
22454104	20120701	Efficient production of (R)-o-chloromandelic acid by deracemization of o-chloromandelonitrile with a new nitrilase mined from Labrenzia aggregata	Applied microbiology and biotechnology
22508329	20120501	Resolution of 2-chloromandelic acid with (R)-(+)-N-benzyl-1-phenylethylamine: chiral discrimination mechanism	Chirality
22117223	20120214	The isolation of a metastable conglomerate using a combined computational and controlled crystallization approach	Chemical communications (Cambridge, England)
18837015	20090501	Identification and characterization of solid-state nature of 2-chloromandelic acid	Journal of pharmaceutical sciences
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

Complexity:	172
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
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:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5