Home Nitriles (4-Chlorophenyl)(phenyl)acetonitrile

(4-Chlorophenyl)(phenyl)acetonitrile

CAS No.:
4578-80-7
Catalog Number:
AG00JHLR
Molecular Formula:
C14H10ClN
Molecular Weight:
227.6889
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
50mg
1 week
United States
$223
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Product Description
Catalog Number:
AG00JHLR
Chemical Name:
(4-Chlorophenyl)(phenyl)acetonitrile
CAS Number:
4578-80-7
Molecular Formula:
C14H10ClN
Molecular Weight:
227.6889
MDL Number:
MFCD00158849
IUPAC Name:
2-(4-chlorophenyl)-2-phenylacetonitrile
InChI:
InChI=1S/C14H10ClN/c15-13-8-6-12(7-9-13)14(10-16)11-4-2-1-3-5-11/h1-9,14H
InChI Key:
OZTNTRFNRLHMKC-UHFFFAOYSA-N
SMILES:
N#CC(c1ccccc1)c1ccc(cc1)Cl
Properties
Complexity:
253  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.05g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.691g/mol
Monoisotopic Mass:
227.05g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Properties