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230647-73-1 | [1,1'-Biphenyl]-4-carbonitrile, 4'-(dibromomethyl)-
CAS No: 230647-73-1 Catalog No: AG002M2T MDL No:
Product Description
Catalog Number:
AG002M2T
Chemical Name:
[1,1'-Biphenyl]-4-carbonitrile, 4'-(dibromomethyl)-
CAS Number:
230647-73-1
Molecular Formula:
C14H9Br2N
Molecular Weight:
351.0360
IUPAC Name:
4-[4-(dibromomethyl)phenyl]benzonitrile
InChI:
InChI=1S/C14H9Br2N/c15-14(16)13-7-5-12(6-8-13)11-3-1-10(9-17)2-4-11/h1-8,14H
InChI Key:
GHJNTBAQUREHJE-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)c1ccc(cc1)C(Br)Br
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.908g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
351.041g/mol
Monoisotopic Mass:
348.91g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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