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102613-18-3 | 2,4(1H,3H)-Pyrimidinedione, 3-[(4-butoxy-3-chlorophenyl)methyl]-5-fluoro-
CAS No: 102613-18-3 Catalog No: AG0007X7 MDL No:
Product Description
Catalog Number:
AG0007X7
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 3-[(4-butoxy-3-chlorophenyl)methyl]-5-fluoro-
CAS Number:
102613-18-3
Molecular Formula:
C15H16ClFN2O3
Molecular Weight:
326.7505
IUPAC Name:
3-[(4-butoxy-3-chlorophenyl)methyl]-5-fluoro-1H-pyrimidine-2,4-dione
InChI:
InChI=1S/C15H16ClFN2O3/c1-2-3-6-22-13-5-4-10(7-11(13)16)9-19-14(20)12(17)8-18-15(19)21/h4-5,7-8H,2-3,6,9H2,1H3,(H,18,21)
InChI Key:
GJGKTZHGBJGHBY-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(cc1Cl)Cn1c(=O)[nH]cc(c1=O)F
Properties
Complexity:
458
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.083g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
326.752g/mol
Monoisotopic Mass:
326.083g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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