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313678-93-2 | 3-Iodo-5-methylpyridin-2(1H)-one
CAS No: 313678-93-2 Catalog No: AG003HDV MDL No:MFCD09037469
Product Description
Catalog Number:
AG003HDV
Chemical Name:
3-Iodo-5-methylpyridin-2(1H)-one
CAS Number:
313678-93-2
Molecular Formula:
C6H6INO
Molecular Weight:
235.0224
MDL Number:
MFCD09037469
IUPAC Name:
3-iodo-5-methyl-1H-pyridin-2-one
InChI:
InChI=1S/C6H6INO/c1-4-2-5(7)6(9)8-3-4/h2-3H,1H3,(H,8,9)
InChI Key:
ASWXKNUHPBTHJI-UHFFFAOYSA-N
SMILES:
Cc1cc(I)c(=O)[nH]c1
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.949g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.024g/mol
Monoisotopic Mass:
234.949g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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