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146534-79-4 | [1,1'-Biphenyl]-4-carbonitrile, 2'-(bromomethyl)-
CAS No: 146534-79-4 Catalog No: AG001E49 MDL No:
Product Description
Catalog Number:
AG001E49
Chemical Name:
[1,1'-Biphenyl]-4-carbonitrile, 2'-(bromomethyl)-
CAS Number:
146534-79-4
Molecular Formula:
C14H10BrN
Molecular Weight:
272.1399
IUPAC Name:
4-[2-(bromomethyl)phenyl]benzonitrile
InChI:
InChI=1S/C14H10BrN/c15-9-13-3-1-2-4-14(13)12-7-5-11(10-16)6-8-12/h1-8H,9H2
InChI Key:
ATZRSESSYSPQTH-UHFFFAOYSA-N
SMILES:
BrCc1ccccc1c1ccc(cc1)C#N
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.145g/mol
Monoisotopic Mass:
271g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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