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13958-98-0 | 4-Pyridinecarbonitrile, 3-bromo-
CAS No: 13958-98-0 Catalog No: AG001BAX MDL No:MFCD00234143
Product Description
Catalog Number:
AG001BAX
Chemical Name:
4-Pyridinecarbonitrile, 3-bromo-
CAS Number:
13958-98-0
Molecular Formula:
C6H3BrN2
Molecular Weight:
183.0054
MDL Number:
MFCD00234143
IUPAC Name:
3-bromopyridine-4-carbonitrile
InChI:
InChI=1S/C6H3BrN2/c7-6-4-9-2-1-5(6)3-8/h1-2,4H
InChI Key:
VPDIXJCBBUZNPO-UHFFFAOYSA-N
SMILES:
N#Cc1ccncc1Br
Properties
Complexity:
137
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.948g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.008g/mol
Monoisotopic Mass:
181.948g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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