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23450-31-9 | Benzonitrile, 4-(phenylmethyl)-
CAS No: 23450-31-9 Catalog No: AG002NAV MDL No:
Product Description
Catalog Number:
AG002NAV
Chemical Name:
Benzonitrile, 4-(phenylmethyl)-
CAS Number:
23450-31-9
Molecular Formula:
C14H11N
Molecular Weight:
193.2438
IUPAC Name:
4-benzylbenzonitrile
InChI:
InChI=1S/C14H11N/c15-11-14-8-6-13(7-9-14)10-12-4-2-1-3-5-12/h1-9H,10H2
InChI Key:
CPRFNWUIJASATH-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)Cc1ccccc1
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.089g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.249g/mol
Monoisotopic Mass:
193.089g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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