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10386-27-3 | 2-Bromoisonicotinonitrile
CAS No: 10386-27-3 Catalog No: AG003GO1 MDL No:MFCD11845426
Product Description
Catalog Number:
AG003GO1
Chemical Name:
2-Bromoisonicotinonitrile
CAS Number:
10386-27-3
Molecular Formula:
C6H3BrN2
Molecular Weight:
183.0054
MDL Number:
MFCD11845426
IUPAC Name:
2-bromopyridine-4-carbonitrile
InChI:
InChI=1S/C6H3BrN2/c7-6-3-5(4-8)1-2-9-6/h1-3H
InChI Key:
AWSJFEKOXQBDSL-UHFFFAOYSA-N
SMILES:
N#Cc1ccnc(c1)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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