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858035-54-8 | [1,1'-Biphenyl]-4-carbonitrile, 2'-benzoyl-
CAS No: 858035-54-8 Catalog No: AG004OGW MDL No:
Product Description
Catalog Number:
AG004OGW
Chemical Name:
[1,1'-Biphenyl]-4-carbonitrile, 2'-benzoyl-
CAS Number:
858035-54-8
Molecular Formula:
C20H13NO
Molecular Weight:
283.3233
IUPAC Name:
4-(2-benzoylphenyl)benzonitrile
InChI:
InChI=1S/C20H13NO/c21-14-15-10-12-16(13-11-15)18-8-4-5-9-19(18)20(22)17-6-2-1-3-7-17/h1-13H
InChI Key:
VNVIVYQRMLLGCW-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)c1ccccc1C(=O)c1ccccc1
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.1g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.33g/mol
Monoisotopic Mass:
283.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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