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2,4 (1H,3H)-Pyrimidiniedione, 5-(3,3,3-trifluoropropyl)- 53489-94-4 C7H7F3N2O2
Identification and Related Records
【Name】
2,4 (1H,3H)-Pyrimidiniedione, 5-(3,3,3-trifluoropropyl)-
【CAS Registry number】
53489-94-4
【Synonyms】
NSC213295
AC1L7GFP
ZINC00347448
AKOS000588726
NSC-213295
BAS 00380057
2,3H)-Pyrimidiniedione, 5-(3,3,3-trifluoropropyl)-
5-(3,3,3-trifluoropropyl)-1H-pyrimidine-2,4-dione
5-(3,3,3-Trifluoro-propyl)-1H-pyrimidine-2,4-dione
53489-94-4
【Molecular Formula】
C7H7F3N2O2 (Products with the same molecular formula)
【Molecular Weight】
208.13789
Chemical and Physical Properties
【Density】
1.357g/cm3
【Boiling Point】
°Cat760mmHg
【Flash Point】
°C
【Computed Properties】
Molecular Weight:208.13789 [g/mol]
Molecular Formula:C7H7F3N2O2
XLogP3:0.7
H-Bond Donor:2
H-Bond Acceptor:5
Rotatable Bond Count:2
Tautomer Count:9
Exact Mass:208.045962
MonoIsotopic Mass:208.045962
Topological Polar Surface Area:58.2
Heavy Atom Count:14
Formal Charge:0
Complexity:296
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Donor Count:2
Feature 3D Ring Count:1
Effective Rotor Count:3
Conformer Sampling RMSD:0.6
CID Conformer Count:8
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