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132312-57-3 | [1,1'-Biphenyl]-4-carbonitrile, 3'-methyl-
CAS No: 132312-57-3 Catalog No: AG0010JJ MDL No:
Product Description
Catalog Number:
AG0010JJ
Chemical Name:
[1,1'-Biphenyl]-4-carbonitrile, 3'-methyl-
CAS Number:
132312-57-3
Molecular Formula:
C14H11N
Molecular Weight:
193.2438
IUPAC Name:
4-(3-methylphenyl)benzonitrile
InChI:
InChI=1S/C14H11N/c1-11-3-2-4-14(9-11)13-7-5-12(10-15)6-8-13/h2-9H,1H3
InChI Key:
KVEFDPQLIFYIIK-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)c1cccc(c1)C
Properties
Complexity:
241
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:
1
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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