58011-68-0
PYRAZOLATE
Name
PYRAZOLATE
Formula
C19 H16 Cl2 N2 O4 S
MolWeight
439.317
1Identification
【Name】
PYRAZOLATE
【CAS】
【MDL】
MFCD00274603
【English Synonyms】
【Formula】
C19 H16 Cl2 N2 O4 S
【MolWeight】
439.317
【Inchi】
InChI=1S/C19H16Cl2N2O4S/c1-11-4-7-14(8-5-11)28(25,26)27-19-17(12(2)22-23(19)3)18(24)15-9-6-13(20)10-16(15)21/h4-10H,1-3H3
【InChIKey】
InChIKey=ASRAWSBMDXVNLX-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)S(=O)(=O)Oc2c(c(nn2C)C)C(=O)c3ccc(cc3Cl)Cl
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:6
XLogP3:5.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
PYRAZOLATE.cml
Quick Release
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ACC Corporation
Catalog No:CHM0079115 5G
Catalog No:CHM0079115 50G
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Country/Region:United States
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Alfa Chemistry
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