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62150-45-2 | 4-Bromopyridine-2-carbonitrile
CAS No: 62150-45-2 Catalog No: AG003H43 MDL No:MFCD04065805
Product Description
Catalog Number:
AG003H43
Chemical Name:
4-Bromopyridine-2-carbonitrile
CAS Number:
62150-45-2
Molecular Formula:
C6H3BrN2
Molecular Weight:
183.0054
MDL Number:
MFCD04065805
IUPAC Name:
4-bromopyridine-2-carbonitrile
InChI:
InChI=1S/C6H3BrN2/c7-5-1-2-9-6(3-5)4-8/h1-3H
InChI Key:
CZXDCTUSFIKLIJ-UHFFFAOYSA-N
SMILES:
Brc1cc(ncc1)C#N
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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