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100937-11-9 | 3-Pyrazolidinone, 1-[4-(trifluoromethyl)phenyl]-
CAS No: 100937-11-9 Catalog No: AG000392 MDL No:
Product Description
Catalog Number:
AG000392
Chemical Name:
3-Pyrazolidinone, 1-[4-(trifluoromethyl)phenyl]-
CAS Number:
100937-11-9
Molecular Formula:
C10H9F3N2O
Molecular Weight:
230.1865
IUPAC Name:
1-[4-(fluoromethyl)phenyl]pyrazolidin-3-one
InChI:
InChI=1S/C10H11FN2O/c11-7-8-1-3-9(4-2-8)13-6-5-10(14)12-13/h1-4H,5-7H2,(H,12,14)
InChI Key:
JEEMLNLBLSBQTO-UHFFFAOYSA-N
SMILES:
FC(c1ccc(cc1)N1CCC(=O)N1)(F)F
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.086g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.209g/mol
Monoisotopic Mass:
194.086g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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