CAS 16273-37-3 | Benzeneacetic acid, 3-chloro-α-hydroxy- | CAS Number 16273-37-3

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16273-37-3 | Benzeneacetic acid, 3-chloro-α-hydroxy-

CAS No: 16273-37-3 Catalog No: AG001TD6 MDL No:MFCD00829409

Product Description

Catalog Number:

AG001TD6

Chemical Name:

Benzeneacetic acid, 3-chloro-α-hydroxy-

CAS Number:

16273-37-3

Molecular Formula:

C8H7ClO3

Molecular Weight:

186.5924

MDL Number:

MFCD00829409

IUPAC Name:

2-(3-chlorophenyl)-2-hydroxyacetic acid

InChI:

InChI=1S/C8H7ClO3/c9-6-3-1-2-5(4-6)7(10)8(11)12/h1-4,7,10H,(H,11,12)

InChI Key:

SAMVPMGKGGLIPF-UHFFFAOYSA-N

SMILES:

OC(=O)C(c1cccc(c1)Cl)O

EC Number:

240-376-5

NSC Number:

126599

Properties

Complexity:

172

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

186.008g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

186.591g/mol

Monoisotopic Mass:

186.008g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

57.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5

Literature

Title	Journal
Asymmetric synthesis and evaluation of a hydroxyphenylamide voltage-gated sodium channel blocker in human prostate cancer xenografts.	Bioorganic & medicinal chemistry 20120315
Optimization of enantioselective synthesis of methyl (R)-2-chloromandelate by whole cells of Saccharomyces cerevisiae.	Biotechnology letters 20101001
Enantiomeric 3-chloromandelic acid system: binary melting point phase diagram, ternary solubility phase diagrams and polymorphism.	Journal of pharmaceutical sciences 20100901
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 20080801
Highly enantioselective and efficient synthesis of methyl (R)-o-chloromandelate with recombinant E. coli: toward practical and green access to clopidogrel.	Organic & biomolecular chemistry 20070421