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102613-24-1 | 2,4(1H,3H)-Pyrimidinedione, 3-[(3-chloro-4-propoxyphenyl)methyl]-5-fluoro-
CAS No: 102613-24-1 Catalog No: AG0007X1 MDL No:
Product Description
Catalog Number:
AG0007X1
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 3-[(3-chloro-4-propoxyphenyl)methyl]-5-fluoro-
CAS Number:
102613-24-1
Molecular Formula:
C14H14ClFN2O3
Molecular Weight:
312.7240
IUPAC Name:
3-[(3-chloro-4-propoxyphenyl)methyl]-5-fluoro-1H-pyrimidine-2,4-dione
InChI:
InChI=1S/C14H14ClFN2O3/c1-2-5-21-12-4-3-9(6-10(12)15)8-18-13(19)11(16)7-17-14(18)20/h3-4,6-7H,2,5,8H2,1H3,(H,17,20)
InChI Key:
IPZPUJKIVNIMRD-UHFFFAOYSA-N
SMILES:
CCCOc1ccc(cc1Cl)Cn1c(=O)[nH]cc(c1=O)F
Properties
Complexity:
444
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.068g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
312.725g/mol
Monoisotopic Mass:
312.068g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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