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132787-93-0 | 2,4-Pentanedione, 3-[(4-chlorophenyl)thio]-
CAS No: 132787-93-0 Catalog No: AG00116H MDL No:MFCD00178514
Product Description
Catalog Number:
AG00116H
Chemical Name:
2,4-Pentanedione, 3-[(4-chlorophenyl)thio]-
CAS Number:
132787-93-0
Molecular Formula:
C11H11ClO2S
Molecular Weight:
242.7218
MDL Number:
MFCD00178514
IUPAC Name:
3-(4-chlorophenyl)sulfanylpentane-2,4-dione
InChI:
InChI=1S/C11H11ClO2S/c1-7(13)11(8(2)14)15-10-5-3-9(12)4-6-10/h3-6,11H,1-2H3
InChI Key:
GJLNLPQGSJDWOM-UHFFFAOYSA-N
SMILES:
CC(=O)C(C(=O)C)Sc1ccc(cc1)Cl
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.017g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.717g/mol
Monoisotopic Mass:
242.017g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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