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210037-90-4 | [1,1'-Biphenyl]-2-carbonitrile, 4-(bromomethyl)-
CAS No: 210037-90-4 Catalog No: AG002KIU MDL No:
Product Description
Catalog Number:
AG002KIU
Chemical Name:
[1,1'-Biphenyl]-2-carbonitrile, 4-(bromomethyl)-
CAS Number:
210037-90-4
Molecular Formula:
C14H10BrN
Molecular Weight:
272.1399
IUPAC Name:
5-(bromomethyl)-2-phenylbenzonitrile
InChI:
InChI=1S/C14H10BrN/c15-9-11-6-7-14(13(8-11)10-16)12-4-2-1-3-5-12/h1-8H,9H2
InChI Key:
LQPCAPMUDDPGHJ-UHFFFAOYSA-N
SMILES:
N#Cc1cc(CBr)ccc1c1ccccc1
Properties
Complexity:
261
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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