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100367-75-7 | Pyridine, 2-bromo-6-methyl-, 1-oxide, hydrochloride (1:1)
CAS No: 100367-75-7 Catalog No: AG0001QK MDL No:
Product Description
Catalog Number:
AG0001QK
Chemical Name:
Pyridine, 2-bromo-6-methyl-, 1-oxide, hydrochloride (1:1)
CAS Number:
100367-75-7
Molecular Formula:
C6H7BrClNO
Molecular Weight:
224.4829
IUPAC Name:
2-bromo-6-methyl-1-oxidopyridin-1-ium;hydrochloride
InChI:
InChI=1S/C6H6BrNO.ClH/c1-5-3-2-4-6(7)8(5)9;/h2-4H,1H3;1H
InChI Key:
ZTLUSTLLGBXOGZ-UHFFFAOYSA-N
SMILES:
Cc1cccc([n+]1[O-])Br.Cl
NSC Number:
159016
Properties
Complexity:
99.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.94g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.482g/mol
Monoisotopic Mass:
222.94g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
25.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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