Home Halogens 2-(3-chlorophenyl)-2-hydroxyacetonitrile

2-(3-chlorophenyl)-2-hydroxyacetonitrile

CAS No.:
53313-92-1
Catalog Number:
AG01B9A2
Molecular Formula:
C8H6ClNO
Molecular Weight:
167.5923
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Product Description
Catalog Number:
AG01B9A2
Chemical Name:
2-(3-chlorophenyl)-2-hydroxyacetonitrile
CAS Number:
53313-92-1
Molecular Formula:
C8H6ClNO
Molecular Weight:
167.5923
MDL Number:
MFCD12169339
IUPAC Name:
2-(3-chlorophenyl)-2-hydroxyacetonitrile
InChI:
InChI=1S/C8H6ClNO/c9-7-3-1-2-6(4-7)8(11)5-10/h1-4,8,11H
InChI Key:
VITRCPVSCQOAFP-UHFFFAOYSA-N
SMILES:
N#CC(c1cccc(c1)Cl)O
Properties
Complexity:
174  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.014g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
167.592g/mol
Monoisotopic Mass:
167.014g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties