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19230-57-0 | Pyridine, 2-bromo-3-methyl-, 1-oxide
CAS No: 19230-57-0 Catalog No: AG002FTH MDL No:MFCD20270297
Product Description
Catalog Number:
AG002FTH
Chemical Name:
Pyridine, 2-bromo-3-methyl-, 1-oxide
CAS Number:
19230-57-0
Molecular Formula:
C6H6BrNO
Molecular Weight:
188.0219
MDL Number:
MFCD20270297
IUPAC Name:
2-bromo-3-methyl-1-oxidopyridin-1-ium
InChI:
InChI=1S/C6H6BrNO/c1-5-3-2-4-8(9)6(5)7/h2-4H,1H3
InChI Key:
RAQYFPHUNLDWFT-UHFFFAOYSA-N
SMILES:
[O-][n+]1cccc(c1Br)C
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:
1.2
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