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847664-66-8 | 3-Pyridinol, 5-bromo-, 1-oxide
CAS No: 847664-66-8 Catalog No: AG004XTL MDL No:
Product Description
Catalog Number:
AG004XTL
Chemical Name:
3-Pyridinol, 5-bromo-, 1-oxide
CAS Number:
847664-66-8
Molecular Formula:
C5H4BrNO2
Molecular Weight:
189.9948
IUPAC Name:
5-bromo-1-oxidopyridin-1-ium-3-ol
InChI:
InChI=1S/C5H4BrNO2/c6-4-1-5(8)3-7(9)2-4/h1-3,8H
InChI Key:
OKKLKZXJKBLJIK-UHFFFAOYSA-N
SMILES:
Oc1cc(Br)c[n+](c1)[O-]
Properties
Complexity:
101
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.943g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.996g/mol
Monoisotopic Mass:
188.943g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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