Home Halogens 2-chloro-2-(4-chlorophenyl)acetonitrile

2-chloro-2-(4-chlorophenyl)acetonitrile

CAS No.:
89978-12-1
Catalog Number:
AG01B998
Molecular Formula:
C8H5Cl2N
Molecular Weight:
186.0380
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Product Description
Catalog Number:
AG01B998
Chemical Name:
2-chloro-2-(4-chlorophenyl)acetonitrile
CAS Number:
89978-12-1
Molecular Formula:
C8H5Cl2N
Molecular Weight:
186.0380
MDL Number:
MFCD16146977
IUPAC Name:
2-chloro-2-(4-chlorophenyl)acetonitrile
InChI:
InChI=1S/C8H5Cl2N/c9-7-3-1-6(2-4-7)8(10)5-11/h1-4,8H
InChI Key:
ZGUPSFRKJZTCTE-UHFFFAOYSA-N
SMILES:
ClC(c1ccc(cc1)Cl)C#N
Properties
Complexity:
164  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.98g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.035g/mol
Monoisotopic Mass:
184.98g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties