7253-04-5
1-(2,5-DICHLORO-4-SULFO-PHENYL)-5-OXO-4,5-DIHYDRO-1H-PYRAZOLE-3-CARBOXYLIC ACID
Name
1-(2,5-DICHLORO-4-SULFO-PHENYL)-5-OXO-4,5-DIHYDRO-1H-PYRAZOLE-3-CARBOXYLIC ACID
Formula
C10 H6 Cl2 N2 O6 S
MolWeight
353.137
1Identification
【Name】
1-(2,5-DICHLORO-4-SULFO-PHENYL)-5-OXO-4,5-DIHYDRO-1H-PYRAZOLE-3-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD00020744
【English Synonyms】
【Formula】
C10 H6 Cl2 N2 O6 S
【MolWeight】
353.137
【Inchi】
InChI=1S/C10H6Cl2N2O6S/c11-4-2-8(21(18,19)20)5(12)1-7(4)14-9(15)3-6(13-14)10(16)17/h1-2H,3H2,(H,16,17)(H,18,19,20)
【InChIKey】
InChIKey=YVFMPXVMGPZCRS-UHFFFAOYSA-N
【SMILES】
c1c(c(cc(c1Cl)S(=O)(=O)O)Cl)N2C(=O)CC(=N2)C(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:8
XLogP3:0.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
1-(2,5-DICHLORO-4-SULFO-PHENYL)-5-OXO-4,5-DIHYDRO-1H-PYRAZOLE-3-CARBOXYLIC ACID.cml
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