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Home > Aldehydes > 897942-80-2
897942-80-2 | 2-Pyridinecarboxaldehyde,6-bromo-, 1-oxide
CAS No: 897942-80-2 Catalog No: AG003ZOC MDL No:
Product Description
Catalog Number:
AG003ZOC
Chemical Name:
2-Pyridinecarboxaldehyde,6-bromo-, 1-oxide
CAS Number:
897942-80-2
Molecular Formula:
C6H4BrNO2
Molecular Weight:
202.0055
IUPAC Name:
6-bromo-1-oxidopyridin-1-ium-2-carbaldehyde
InChI:
InChI=1S/C6H4BrNO2/c7-6-3-1-2-5(4-9)8(6)10/h1-4H
InChI Key:
NUZMPYLFCZJFCG-UHFFFAOYSA-N
SMILES:
O=Cc1cccc([n+]1[O-])Br
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.943g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.007g/mol
Monoisotopic Mass:
200.943g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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