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889865-47-8 | 4-Iodo-1-methylpyridin-2(1H)-one
CAS No: 889865-47-8 Catalog No: AG00H4A7 MDL No:MFCD15474993
Product Description
Catalog Number:
AG00H4A7
Chemical Name:
4-Iodo-1-methylpyridin-2(1H)-one
CAS Number:
889865-47-8
Molecular Formula:
C6H6INO
Molecular Weight:
235.0224
MDL Number:
MFCD15474993
IUPAC Name:
4-iodo-1-methylpyridin-2-one
InChI:
InChI=1S/C6H6INO/c1-8-3-2-5(7)4-6(8)9/h2-4H,1H3
InChI Key:
YZJCNADFGXFEHX-UHFFFAOYSA-N
SMILES:
Ic1ccn(c(=O)c1)C
Properties
Complexity:
195
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:
0
Isotope Atom Count:
0
Molecular Weight:
235.024g/mol
Monoisotopic Mass:
234.949g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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