Home Nitriles 2-(3-Chloro-4-methylphenyl)benzonitrile

2-(3-Chloro-4-methylphenyl)benzonitrile

CAS No.:
442670-45-3
Catalog Number:
AG00DKFO
Molecular Formula:
C14H10ClN
Molecular Weight:
227.6889
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$150
- +
5g
98%
In Stock USA
United States
$450
- +
10g
98%
In Stock USA
United States
$750
- +
Product Description
Catalog Number:
AG00DKFO
Chemical Name:
2-(3-Chloro-4-methylphenyl)benzonitrile
CAS Number:
442670-45-3
Molecular Formula:
C14H10ClN
Molecular Weight:
227.6889
MDL Number:
MFCD07779319
IUPAC Name:
2-(3-chloro-4-methylphenyl)benzonitrile
InChI:
InChI=1S/C14H10ClN/c1-10-6-7-11(8-14(10)15)13-5-3-2-4-12(13)9-16/h2-8H,1H3
InChI Key:
AAJAXMNFOFJPKC-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1c1ccc(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