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Home > Bromides > 1227578-99-5
1227578-99-5 | 2(1H)-Pyridinone, 4-bromo-3-methyl-
CAS No: 1227578-99-5 Catalog No: AG000JBQ MDL No:MFCD16610028
Product Description
Catalog Number:
AG000JBQ
Chemical Name:
2(1H)-Pyridinone, 4-bromo-3-methyl-
CAS Number:
1227578-99-5
Molecular Formula:
C6H6BrNO
Molecular Weight:
188.0219
MDL Number:
MFCD16610028
IUPAC Name:
4-bromo-3-methyl-1H-pyridin-2-one
InChI:
InChI=1S/C6H6BrNO/c1-4-5(7)2-3-8-6(4)9/h2-3H,1H3,(H,8,9)
InChI Key:
NOOOVNDZIYQCSX-UHFFFAOYSA-N
SMILES:
Brc1cc[nH]c(=O)c1C
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:
1
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
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