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183586-08-5 | 3-Pyrazolidinone, 1-(2-chloro-4-fluorophenyl)-
CAS No: 183586-08-5 Catalog No: AG0027PK MDL No:
Product Description
Catalog Number:
AG0027PK
Chemical Name:
3-Pyrazolidinone, 1-(2-chloro-4-fluorophenyl)-
CAS Number:
183586-08-5
Molecular Formula:
C9H8ClFN2O
Molecular Weight:
214.6240
IUPAC Name:
1-(2-chloro-4-fluorophenyl)pyrazolidin-3-one
InChI:
InChI=1S/C9H8ClFN2O/c10-7-5-6(11)1-2-8(7)13-4-3-9(14)12-13/h1-2,5H,3-4H2,(H,12,14)
InChI Key:
NOHKKLUXIAKNEJ-UHFFFAOYSA-N
SMILES:
O=C1CCN(N1)c1ccc(cc1Cl)F
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.031g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.624g/mol
Monoisotopic Mass:
214.031g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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