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165260-46-8 | 2,4(1H,3H)-Pyrimidinedione, 6-chloro-1-[(phenylmethoxy)methyl]-
CAS No: 165260-46-8 Catalog No: AG001W1N MDL No:
Product Description
Catalog Number:
AG001W1N
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 6-chloro-1-[(phenylmethoxy)methyl]-
CAS Number:
165260-46-8
Molecular Formula:
C12H11ClN2O3
Molecular Weight:
266.6803
IUPAC Name:
6-chloro-1-(phenylmethoxymethyl)pyrimidine-2,4-dione
InChI:
InChI=1S/C12H11ClN2O3/c13-10-6-11(16)14-12(17)15(10)8-18-7-9-4-2-1-3-5-9/h1-6H,7-8H2,(H,14,16,17)
InChI Key:
ODMSBWYSNJQQND-UHFFFAOYSA-N
SMILES:
O=c1cc(Cl)n(c(=O)[nH]1)COCc1ccccc1
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.046g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
266.681g/mol
Monoisotopic Mass:
266.046g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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