Home Nitriles 4-(3-Chlorophenyl)benzonitrile

4-(3-Chlorophenyl)benzonitrile

CAS No.:
5728-39-2
Catalog Number:
AG00EBOV
Molecular Formula:
C13H8ClN
Molecular Weight:
213.6623
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$75
- +
5g
98%
In Stock USA
United States
$225
- +
Product Description
Catalog Number:
AG00EBOV
Chemical Name:
4-(3-Chlorophenyl)benzonitrile
CAS Number:
5728-39-2
Molecular Formula:
C13H8ClN
Molecular Weight:
213.6623
MDL Number:
MFCD05980369
IUPAC Name:
4-(3-chlorophenyl)benzonitrile
InChI:
InChI=1S/C13H8ClN/c14-13-3-1-2-12(8-13)11-6-4-10(9-15)5-7-11/h1-8H
InChI Key:
MPNMDPMKZISVOK-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)c1cccc(c1)Cl
Properties
Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.035g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.664g/mol
Monoisotopic Mass:
213.035g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3  
Properties