Home Nitriles 4-[(2-Methylphenyl)carbonyl]benzonitrile

4-[(2-Methylphenyl)carbonyl]benzonitrile

CAS No.:
913485-57-1
Catalog Number:
AG00IGM1
Molecular Formula:
C15H11NO
Molecular Weight:
221.2539
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:
AG00IGM1
Chemical Name:
4-[(2-Methylphenyl)carbonyl]benzonitrile
CAS Number:
913485-57-1
Molecular Formula:
C15H11NO
Molecular Weight:
221.2539
MDL Number:
MFCD22205826
IUPAC Name:
4-(2-methylbenzoyl)benzonitrile
InChI:
InChI=1S/C15H11NO/c1-11-4-2-3-5-14(11)15(17)13-8-6-12(10-16)7-9-13/h2-9H,1H3
InChI Key:
FEWUACDGESCRIY-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)C(=O)c1ccccc1C
Properties
Complexity:
319  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.084g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.259g/mol
Monoisotopic Mass:
221.084g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties