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100367-74-6 | Pyridine, 4-bromo-2-methyl-, 1-oxide
CAS No: 100367-74-6 Catalog No: AG0001QL MDL No:MFCD13191440
Product Description
Catalog Number:
AG0001QL
Chemical Name:
Pyridine, 4-bromo-2-methyl-, 1-oxide
CAS Number:
100367-74-6
Molecular Formula:
C6H6BrNO
Molecular Weight:
188.0219
MDL Number:
MFCD13191440
IUPAC Name:
4-bromo-2-methyl-1-oxidopyridin-1-ium
InChI:
InChI=1S/C6H6BrNO/c1-5-4-6(7)2-3-8(5)9/h2-4H,1H3
InChI Key:
WRQSJBNVXAEYSB-UHFFFAOYSA-N
SMILES:
Brc1cc[n+](c(c1)C)[O-]
Properties
Complexity:
99.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.963g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.024g/mol
Monoisotopic Mass:
186.963g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
25.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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