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102613-22-9 | 2,4(1H,3H)-Pyrimidinedione, 3-[[3-chloro-4-(1-methylethoxy)phenyl]methyl]-5-fluoro-
CAS No: 102613-22-9 Catalog No: AG0007X3 MDL No:
Product Description
Catalog Number:
AG0007X3
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 3-[[3-chloro-4-(1-methylethoxy)phenyl]methyl]-5-fluoro-
CAS Number:
102613-22-9
Molecular Formula:
C14H14ClFN2O3
Molecular Weight:
312.7240
IUPAC Name:
3-[(3-chloro-4-propan-2-yloxyphenyl)methyl]-5-fluoro-1H-pyrimidine-2,4-dione
InChI:
InChI=1S/C14H14ClFN2O3/c1-8(2)21-12-4-3-9(5-10(12)15)7-18-13(19)11(16)6-17-14(18)20/h3-6,8H,7H2,1-2H3,(H,17,20)
InChI Key:
DDJAOCAJOUNAQT-UHFFFAOYSA-N
SMILES:
CC(Oc1ccc(cc1Cl)Cn1c(=O)[nH]cc(c1=O)F)C
Properties
Complexity:
456
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:
4
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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