Home Nitriles 2-(3-Benzoylphenyl)propionitrile

2-(3-Benzoylphenyl)propionitrile

CAS No.:
42872-30-0
Catalog Number:
AG003B28
Molecular Formula:
C16H13NO
Molecular Weight:
235.2805
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$19
- +
5g
98%
In Stock USA
United States
$62
- +
10g
98%
In Stock USA
United States
$75
- +
25g
98%
In Stock USA
United States
$150
- +
100g
98%
In Stock USA
United States
$525
- +
Product Description
Catalog Number:
AG003B28
Chemical Name:
2-(3-Benzoylphenyl)propionitrile
CAS Number:
42872-30-0
Molecular Formula:
C16H13NO
Molecular Weight:
235.2805
MDL Number:
MFCD00044435
IUPAC Name:
2-(3-benzoylphenyl)propanenitrile
InChI:
InChI=1S/C16H13NO/c1-12(11-17)14-8-5-9-15(10-14)16(18)13-6-3-2-4-7-13/h2-10,12H,1H3
InChI Key:
RGYOCHMZSLUCNP-UHFFFAOYSA-N
SMILES:
N#CC(c1cccc(c1)C(=O)c1ccccc1)C
EC Number:
255-982-5
Properties
Complexity:
334  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.1g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.286g/mol
Monoisotopic Mass:
235.1g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties