Chemical Properties of 1-(2'-Chloro-5'-sulfophenyl)-3-methyl-5-pyrazolone (CAS 88-76-6)

1-(2'-Chloro-5'-sulfophenyl)-3-methyl-5-pyrazolone

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InChI
InChI=1S/C10H9ClN2O4S/c1-6-4-10(14)13(12-6)9-5-7(18(15,16)17)2-3-8(9)11/h2-3,5H,4H2,1H3,(H,15,16,17)
InChI Key
UWLNKHDLVZEYKQ-UHFFFAOYSA-N
Formula
C10H9ClN2O4S
SMILES
CC1=NN(c2cc(S(=O)(=O)O)ccc2Cl)C(=O)C1
Molecular Weight1
288.71
CAS
88-76-6
Other Names
  • Benzenesulfonic acid, 4-chloro-3-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-
  • Benzenesulfonic acid, 4-chloro-3-(3-methyl-5-oxo-2-pyrazolin-1-yl)-
  • 4-Chloro-3-(3-methyl-5-oxo-2-pyrazolin-1-yl)benzenesulfonic acid
  • 4-chloro-3-(3-methyl-5-oxo-2-pyrazolin-1-yl)benzenesulphonic acid
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Physical Properties

Property Value Unit Source
log10WS -2.32 Crippen Calculated Property
logPoct/wat 1.699 Crippen Calculated Property
McVol 180.570 ml/mol McGowan Calculated Property

Similar Compounds

Cytosine arabinoside, methyl-TMS derivative. Morazone. 2(1H)-Pyrimidinone, 1-[2,3-bis-O-(trimethylsilyl)-«beta»-D-ribofuranosyl]-4-(trimethylsiloxy)-, 5'-[bis(trimethylsilyl) phosphate]. Cytosine arabinoside, dimethyl-propyldimethylsilyl derivative. Formosanan-16-carboxylic acid, 19-methyl-2-oxo-, methyl ester, (19«alpha»)-. Eruciflorine. Cytosine arabinoside, dimethyl-allyldimethylsilyl derivative. Thymidine, 3'-O-cyclotetramethylene-tertbutylsilyl, 5'-O-acetyl. (E)-Eruciflorine. Thymidine, 3'-O-cyclotetramethylene-isopropylsilyl, 5'-O-acetyl. Senecionine, 12-acetyl. 2'-Deoxyguanosine, tris(trimethylsilyl) deriv.. Acetylgynuramine. 21-Hydroxyintergerrimine. Poligodial + 3-methoxy-4,5-methylenedioxyamphetamine (R,S) adduct, # 1.

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Sources

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