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83868-53-5 | 3-Pyrazolidinone, 1-(4-chlorophenyl)-4-(hydroxymethyl)-4-methyl-
CAS No: 83868-53-5 Catalog No: AG004VGR MDL No:
Product Description
Catalog Number:
AG004VGR
Chemical Name:
3-Pyrazolidinone, 1-(4-chlorophenyl)-4-(hydroxymethyl)-4-methyl-
CAS Number:
83868-53-5
Molecular Formula:
C11H13ClN2O2
Molecular Weight:
240.6861
IUPAC Name:
1-(4-chlorophenyl)-4-(hydroxymethyl)-4-methylpyrazolidin-3-one
InChI:
InChI=1S/C11H13ClN2O2/c1-11(7-15)6-14(13-10(11)16)9-4-2-8(12)3-5-9/h2-5,15H,6-7H2,1H3,(H,13,16)
InChI Key:
ZZEZUWVMBIQWEI-UHFFFAOYSA-N
SMILES:
OCC1(C)CN(NC1=O)c1ccc(cc1)Cl
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.067g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
240.687g/mol
Monoisotopic Mass:
240.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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