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Home > Fluorides > 138191-89-6
138191-89-6 | 2,4(1H,3H)-Pyrimidinedione, 1-(2-cyclopenten-1-yl)-5-fluoro-
CAS No: 138191-89-6 Catalog No: AG00185G MDL No:
Product Description
Catalog Number:
AG00185G
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 1-(2-cyclopenten-1-yl)-5-fluoro-
CAS Number:
138191-89-6
Molecular Formula:
C9H9FN2O2
Molecular Weight:
196.1784
IUPAC Name:
1-cyclopent-2-en-1-yl-5-fluoropyrimidine-2,4-dione
InChI:
InChI=1S/C9H9FN2O2/c10-7-5-12(6-3-1-2-4-6)9(14)11-8(7)13/h1,3,5-6H,2,4H2,(H,11,13,14)
InChI Key:
MQBSXWDGYDLVPT-UHFFFAOYSA-N
SMILES:
Fc1cn(C2CCC=C2)c(=O)[nH]c1=O
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.065g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.181g/mol
Monoisotopic Mass:
196.065g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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