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Home > Fluorides > 131960-05-9
131960-05-9 | 3-Pyrazolidinone, 5-(4-fluorophenyl)-1-propyl-
CAS No: 131960-05-9 Catalog No: AG000ZZV MDL No:
Product Description
Catalog Number:
AG000ZZV
Chemical Name:
3-Pyrazolidinone, 5-(4-fluorophenyl)-1-propyl-
CAS Number:
131960-05-9
Molecular Formula:
C12H15FN2O
Molecular Weight:
222.2587
IUPAC Name:
5-(4-fluorophenyl)-1-propylpyrazolidin-3-one
InChI:
InChI=1S/C12H15FN2O/c1-2-7-15-11(8-12(16)14-15)9-3-5-10(13)6-4-9/h3-6,11H,2,7-8H2,1H3,(H,14,16)
InChI Key:
AEKOTLJUXIMRNN-UHFFFAOYSA-N
SMILES:
CCCN1NC(=O)CC1c1ccc(cc1)F
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.117g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.263g/mol
Monoisotopic Mass:
222.117g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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