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114772-54-2 | [1,1'-Biphenyl]-2-carbonitrile, 4'-(bromomethyl)-
CAS No: 114772-54-2 Catalog No: AG000F6X MDL No:MFCD00671503
Product Description
Catalog Number:
AG000F6X
Chemical Name:
[1,1'-Biphenyl]-2-carbonitrile, 4'-(bromomethyl)-
CAS Number:
114772-54-2
Molecular Formula:
C14H10BrN
Molecular Weight:
272.1399
MDL Number:
MFCD00671503
IUPAC Name:
2-[4-(bromomethyl)phenyl]benzonitrile
InChI:
InChI=1S/C14H10BrN/c15-9-11-5-7-12(8-6-11)14-4-2-1-3-13(14)10-16/h1-8H,9H2
InChI Key:
LFFIEVAMVPCZNA-UHFFFAOYSA-N
SMILES:
BrCc1ccc(cc1)c1ccccc1C#N
UNII:
UI5JR3K10F
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
Literature
| Title | Journal |
|---|---|
| 2-[4-(Azido-meth-yl)phen-yl]benzonitrile. | Acta crystallographica. Section E, Structure reports online 20120701 |
| 4'-(Morpholino-meth-yl)biphenyl-2-carbonitrile. | Acta crystallographica. Section E, Structure reports online 20100801 |
| 2,2',2''-[Nitrilo-tris(methyl-ene-p-phenyl-ene)]tribenzonitrile. | Acta crystallographica. Section E, Structure reports online 20081001 |
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