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192699-42-6 | [1,1'-Biphenyl]-3-carbonitrile, 4'-bromo-
CAS No: 192699-42-6 Catalog No: AG002G7I MDL No:
Product Description
Catalog Number:
AG002G7I
Chemical Name:
[1,1'-Biphenyl]-3-carbonitrile, 4'-bromo-
CAS Number:
192699-42-6
Molecular Formula:
C13H8BrN
Molecular Weight:
258.1133
IUPAC Name:
3-(4-bromophenyl)benzonitrile
InChI:
InChI=1S/C13H8BrN/c14-13-6-4-11(5-7-13)12-3-1-2-10(8-12)9-15/h1-8H
InChI Key:
GZFFDIREDCVUAF-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)c1ccc(cc1)Br
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.984g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.118g/mol
Monoisotopic Mass:
256.984g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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