Home Nitriles 2-(3-Chlorophenyl)benzonitrile

2-(3-Chlorophenyl)benzonitrile

CAS No.:
1338095-85-4
Catalog Number:
AG007MV9
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:
AG007MV9
Chemical Name:
2-(3-Chlorophenyl)benzonitrile
CAS Number:
1338095-85-4
Molecular Formula:
C13H8ClN
Molecular Weight:
213.6623
MDL Number:
MFCD05979947
IUPAC Name:
2-(3-chlorophenyl)benzonitrile
InChI:
InChI=1S/C13H8ClN/c14-12-6-3-5-10(8-12)13-7-2-1-4-11(13)9-15/h1-8H
InChI Key:
PQYNQKBYEZCGOX-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1c1cccc(c1)Cl
Properties
Complexity:
255  
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:
4.1  
Properties