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88148-64-5 | 3-Pyridinecarbonitrile, 4-(2-bromophenyl)-2-chloro-
CAS No: 88148-64-5 Catalog No: AG004GC8 MDL No:
Product Description
Catalog Number:
AG004GC8
Chemical Name:
3-Pyridinecarbonitrile, 4-(2-bromophenyl)-2-chloro-
CAS Number:
88148-64-5
Molecular Formula:
C12H6BrClN2
Molecular Weight:
293.5464
IUPAC Name:
4-(2-bromophenyl)-2-chloropyridine-3-carbonitrile
InChI:
InChI=1S/C12H6BrClN2/c13-11-4-2-1-3-9(11)8-5-6-16-12(14)10(8)7-15/h1-6H
InChI Key:
IJZMLRCMSPFCLF-UHFFFAOYSA-N
SMILES:
N#Cc1c(Cl)nccc1c1ccccc1Br
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.94g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.548g/mol
Monoisotopic Mass:
291.94g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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