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1674-30-2

1674-30-2 | Benzenemethanol, α-(chloromethyl)-

CAS No: 1674-30-2 Catalog No: AG001XD3 MDL No:MFCD01075658

Product Description

Catalog Number:
AG001XD3
Chemical Name:
Benzenemethanol, α-(chloromethyl)-
CAS Number:
1674-30-2
Molecular Formula:
C8H9ClO
Molecular Weight:
156.6095
MDL Number:
MFCD01075658
IUPAC Name:
2-chloro-1-phenylethanol
InChI:
InChI=1S/C8H9ClO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H,6H2
InChI Key:
XWCQSILTDPAWDP-UHFFFAOYSA-N
SMILES:
ClCC(c1ccccc1)O
EC Number:
216-816-7

Properties

Complexity:
89.3  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.034g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
156.609g/mol
Monoisotopic Mass:
156.034g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

Literature

Title Journal
Isolation of a Bacillus strain producing ketone reductase with high substrate tolerance. Bioresource technology 20100201
Bioreduction of alpha-chloroacetophenone by whole cells of marine fungi. Biotechnology letters 20091001

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