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97483-77-7 | 5-Bromopicolinonitrile
CAS No: 97483-77-7 Catalog No: AG00348H MDL No:MFCD00234144
Product Description
Catalog Number:
AG00348H
Chemical Name:
5-Bromopicolinonitrile
CAS Number:
97483-77-7
Molecular Formula:
C6H3BrN2
Molecular Weight:
183.0054
MDL Number:
MFCD00234144
IUPAC Name:
5-bromopyridine-2-carbonitrile
InChI:
InChI=1S/C6H3BrN2/c7-5-1-2-6(3-8)9-4-5/h1-2,4H
InChI Key:
DMSHUVBQFSNBBL-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cn1)Br
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:
1.6
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