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7752-74-1 | 5-IODO-6-METHYLPYRIMIDIN-4-OL
CAS No: 7752-74-1 Catalog No: AG00G5RA MDL No:MFCD00234074
Product Description
Catalog Number:
AG00G5RA
Chemical Name:
5-IODO-6-METHYLPYRIMIDIN-4-OL
CAS Number:
7752-74-1
Molecular Formula:
C5H5IN2O
Molecular Weight:
236.0105
MDL Number:
MFCD00234074
IUPAC Name:
5-iodo-4-methyl-1H-pyrimidin-6-one
InChI:
InChI=1S/C5H5IN2O/c1-3-4(6)5(9)8-2-7-3/h2H,1H3,(H,7,8,9)
InChI Key:
XHNGJGWIEPTDEH-UHFFFAOYSA-N
SMILES:
O=c1nc[nH]c(c1I)C
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.945g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.012g/mol
Monoisotopic Mass:
235.945g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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