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893736-83-9 | 3-[4-(Benzyloxy)phenyl]benzonitrile
CAS No: 893736-83-9 Catalog No: AG003WXX MDL No:MFCD06802284
Product Description
Catalog Number:
AG003WXX
Chemical Name:
3-[4-(Benzyloxy)phenyl]benzonitrile
CAS Number:
893736-83-9
Molecular Formula:
C20H15NO
Molecular Weight:
285.3392
MDL Number:
MFCD06802284
IUPAC Name:
3-(4-phenylmethoxyphenyl)benzonitrile
InChI:
InChI=1S/C20H15NO/c21-14-17-7-4-8-19(13-17)18-9-11-20(12-10-18)22-15-16-5-2-1-3-6-16/h1-13H,15H2
InChI Key:
KSEFXTUDRJYZAY-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)c1ccc(cc1)OCc1ccccc1
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.115g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.346g/mol
Monoisotopic Mass:
285.115g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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