CAS 13312-84-0 | Benzeneacetonitrile, 2-chloro-α-hydroxy- | CAS Number 13312-84-0

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13312-84-0 | Benzeneacetonitrile, 2-chloro-α-hydroxy-

CAS No: 13312-84-0 Catalog No: AG0014BQ MDL No:MFCD12169318

Product Description

Catalog Number:

AG0014BQ

Chemical Name:

Benzeneacetonitrile, 2-chloro-α-hydroxy-

CAS Number:

13312-84-0

Molecular Formula:

C8H6ClNO

Molecular Weight:

167.5923

MDL Number:

MFCD12169318

IUPAC Name:

2-(2-chlorophenyl)-2-hydroxyacetonitrile

InChI:

InChI=1S/C8H6ClNO/c9-7-4-2-1-3-6(7)8(11)5-10/h1-4,8,11H

InChI Key:

ZECLJEYAWRQVIB-UHFFFAOYSA-N

SMILES:

N#CC(c1ccccc1Cl)O

EC Number:

603-712-5

Properties

Complexity:

174

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

167.014g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

167.592g/mol

Monoisotopic Mass:

167.014g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

44A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7

Literature

Title	Journal
Efficient production of (R)-o-chloromandelic acid by deracemization of o-chloromandelonitrile with a new nitrilase mined from Labrenzia aggregata.	Applied microbiology and biotechnology 20120701
Biocatalytic synthesis of (R)-(-)-mandelic acid from racemic mandelonitrile by cetyltrimethylammonium bromide-permeabilized cells of Alcaligenes faecalis ECU0401.	Journal of industrial microbiology & biotechnology 20100701
Bioproduction of glycolic acid from glycolonitrile with a new bacterial isolate of Alcaligenes sp. ECU0401.	Applied biochemistry and biotechnology 20100301