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Home > Bromides > 1160923-97-6
1160923-97-6 | 3-Pyridinecarbonitrile, 5-bromo-1,4-dihydro-4-oxo-
CAS No: 1160923-97-6 Catalog No: AG000BLY MDL No:
Product Description
Catalog Number:
AG000BLY
Chemical Name:
3-Pyridinecarbonitrile, 5-bromo-1,4-dihydro-4-oxo-
CAS Number:
1160923-97-6
Molecular Formula:
C6H3BrN2O
Molecular Weight:
199.0048
IUPAC Name:
5-bromo-4-oxo-1H-pyridine-3-carbonitrile
InChI:
InChI=1S/C6H3BrN2O/c7-5-3-9-2-4(1-8)6(5)10/h2-3H,(H,9,10)
InChI Key:
JJNPXAFLCPYPCD-UHFFFAOYSA-N
SMILES:
Brc1c[nH]cc(c1=O)C#N
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.943g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
199.007g/mol
Monoisotopic Mass:
197.943g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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