sales@angenesci.com
Login | Register
logo
Structures Search
Home Nitriles 4-Oxo-2,4-diphenylbutanenitrile

4-Oxo-2,4-diphenylbutanenitrile

CAS No.:
6268-00-4
Catalog Number:
AG00EVT3
Molecular Formula:
C16H13NO
Molecular Weight:
235.2805
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$466
- +
5g
1 week
United States
$2064
- +
10g
1 week
United States
$3685
- +
Product Description
Catalog Number:
AG00EVT3
Chemical Name:
4-Oxo-2,4-diphenylbutanenitrile
CAS Number:
6268-00-4
Molecular Formula:
C16H13NO
Molecular Weight:
235.2805
MDL Number:
MFCD00019807
IUPAC Name:
4-oxo-2,4-diphenylbutanenitrile
InChI:
InChI=1S/C16H13NO/c17-12-15(13-7-3-1-4-8-13)11-16(18)14-9-5-2-6-10-14/h1-10,15H,11H2
InChI Key:
JRWUFQJVJGKCCT-UHFFFAOYSA-N
SMILES:
N#CC(c1ccccc1)CC(=O)c1ccccc1
EC Number:
228-440-0
Properties
Complexity:
315  
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:
4  
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Literature
Title Journal
4-Oxo-2,4-diphenyl-butane-nitrile. Acta crystallographica. Section E, Structure reports online 20120301
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties