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18368-59-7 | 3-Bromo-4-methyl-2-(1H)-pyridinone
CAS No: 18368-59-7 Catalog No: AG0033LW MDL No:MFCD02181071
Product Description
Catalog Number:
AG0033LW
Chemical Name:
3-Bromo-4-methyl-2-(1H)-pyridinone
CAS Number:
18368-59-7
Molecular Formula:
C6H6BrNO
Molecular Weight:
188.0219
MDL Number:
MFCD02181071
IUPAC Name:
3-bromo-4-methyl-1H-pyridin-2-one
InChI:
InChI=1S/C6H6BrNO/c1-4-2-3-8-6(9)5(4)7/h2-3H,1H3,(H,8,9)
InChI Key:
DDRFLSCTQJTMAA-UHFFFAOYSA-N
SMILES:
Cc1cc[nH]c(=O)c1Br
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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