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147819-12-3 | Benzeneacetonitrile, 2-benzoyl-
CAS No: 147819-12-3 Catalog No: AG001F8O MDL No:
Product Description
Catalog Number:
AG001F8O
Chemical Name:
Benzeneacetonitrile, 2-benzoyl-
CAS Number:
147819-12-3
Molecular Formula:
C15H11NO
Molecular Weight:
221.2539
IUPAC Name:
2-(2-benzoylphenyl)acetonitrile
InChI:
InChI=1S/C15H11NO/c16-11-10-12-6-4-5-9-14(12)15(17)13-7-2-1-3-8-13/h1-9H,10H2
InChI Key:
IHDKXVWLUOJCCF-UHFFFAOYSA-N
SMILES:
N#CCc1ccccc1C(=O)c1ccccc1
Properties
Complexity:
308
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:
3
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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