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Home > Bromides > 1227570-72-0
1227570-72-0 | 4-Pyridinol, 2-bromo-5-methyl-
CAS No: 1227570-72-0 Catalog No: AG000JBD MDL No:MFCD16610025
Product Description
Catalog Number:
AG000JBD
Chemical Name:
4-Pyridinol, 2-bromo-5-methyl-
CAS Number:
1227570-72-0
Molecular Formula:
C6H6BrNO
Molecular Weight:
188.0219
MDL Number:
MFCD16610025
IUPAC Name:
2-bromo-5-methyl-1H-pyridin-4-one
InChI:
InChI=1S/C6H6BrNO/c1-4-3-8-6(7)2-5(4)9/h2-3H,1H3,(H,8,9)
InChI Key:
DKIFSEXUUUZXSX-UHFFFAOYSA-N
SMILES:
Brc1ncc(c(c1)O)C
Properties
Complexity:
205
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:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.024g/mol
Monoisotopic Mass:
186.963g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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