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101096-72-4 | Benzeneacetonitrile, 4-(phenylmethyl)-
CAS No: 101096-72-4 Catalog No: AG0003QN MDL No:MFCD00060310
Product Description
Catalog Number:
AG0003QN
Chemical Name:
Benzeneacetonitrile, 4-(phenylmethyl)-
CAS Number:
101096-72-4
Molecular Formula:
C15H13N
Molecular Weight:
207.2704
MDL Number:
MFCD00060310
IUPAC Name:
2-(4-benzylphenyl)acetonitrile
InChI:
InChI=1S/C15H13N/c16-11-10-13-6-8-15(9-7-13)12-14-4-2-1-3-5-14/h1-9H,10,12H2
InChI Key:
RNZDBGKQDKFAPR-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(cc1)Cc1ccccc1
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.105g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.276g/mol
Monoisotopic Mass:
207.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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