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88467-00-9 | 5-Pyrimidinol, 4-iodo-6-phenyl-
CAS No: 88467-00-9 Catalog No: AG004BU1 MDL No:
Product Description
Catalog Number:
AG004BU1
Chemical Name:
5-Pyrimidinol, 4-iodo-6-phenyl-
CAS Number:
88467-00-9
Molecular Formula:
C10H7IN2O
Molecular Weight:
298.0798
IUPAC Name:
4-iodo-6-phenylpyrimidin-5-ol
InChI:
InChI=1S/C10H7IN2O/c11-10-9(14)8(12-6-13-10)7-4-2-1-3-5-7/h1-6,14H
InChI Key:
PCBPXDZQQMSXMX-UHFFFAOYSA-N
SMILES:
Ic1ncnc(c1O)c1ccccc1
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.96g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
298.083g/mol
Monoisotopic Mass:
297.96g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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