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116392-90-6 | 2(1H)-Pyrimidinone, 5-iodo-1-(phenoxymethyl)-
CAS No: 116392-90-6 Catalog No: AG000CDO MDL No:
Product Description
Catalog Number:
AG000CDO
Chemical Name:
2(1H)-Pyrimidinone, 5-iodo-1-(phenoxymethyl)-
CAS Number:
116392-90-6
Molecular Formula:
C11H9IN2O2
Molecular Weight:
328.1058
IUPAC Name:
5-iodo-1-(phenoxymethyl)pyrimidin-2-one
InChI:
InChI=1S/C11H9IN2O2/c12-9-6-13-11(15)14(7-9)8-16-10-4-2-1-3-5-10/h1-7H,8H2
InChI Key:
QVBOQYIHKBZXEZ-UHFFFAOYSA-N
SMILES:
Ic1cnc(=O)n(c1)COc1ccccc1
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.971g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
328.109g/mol
Monoisotopic Mass:
327.971g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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