Home Nitriles 3-(3-Chloro-4-methylphenyl)benzonitrile

3-(3-Chloro-4-methylphenyl)benzonitrile

CAS No.:
253679-13-9
Catalog Number:
AG00BIBB
Molecular Formula:
C14H10ClN
Molecular Weight:
227.6889
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:
AG00BIBB
Chemical Name:
3-(3-Chloro-4-methylphenyl)benzonitrile
CAS Number:
253679-13-9
Molecular Formula:
C14H10ClN
Molecular Weight:
227.6889
MDL Number:
MFCD20529478
IUPAC Name:
3-(3-chloro-4-methylphenyl)benzonitrile
InChI:
InChI=1S/C14H10ClN/c1-10-5-6-13(8-14(10)15)12-4-2-3-11(7-12)9-16/h2-8H,1H3
InChI Key:
UHBIPJZPCKGXMO-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)c1ccc(c(c1)Cl)C
Properties
Complexity:
280  
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:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3  
Properties