956742-35-1
ETHYL 3,5-DIMETHYL-1-[(2-NITROPHENYL)SULFONYL]-1H-PYRAZOLE-4-CARBOXYLATE
Name
ETHYL 3,5-DIMETHYL-1-[(2-NITROPHENYL)SULFONYL]-1H-PYRAZOLE-4-CARBOXYLATE
Formula
C14 H15 N3 O6 S
MolWeight
353.353
1Identification
【Name】
ETHYL 3,5-DIMETHYL-1-[(2-NITROPHENYL)SULFONYL]-1H-PYRAZOLE-4-CARBOXYLATE
【CAS】
【MDL】
MFCD05975066
【English Synonyms】
【Formula】
C14 H15 N3 O6 S
【MolWeight】
353.353
【Inchi】
InChI=1S/C14H15N3O6S/c1-4-23-14(18)13-9(2)15-16(10(13)3)24(21,22)12-8-6-5-7-11(12)17(19)20/h5-8H,4H2,1-3H3
【InChIKey】
InChIKey=TWAYPNVUQKMRST-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1c(nn(c1C)S(=O)(=O)c2ccccc2[N+](=O)[O-])C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:9
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ETHYL 3,5-DIMETHYL-1-[(2-NITROPHENYL)SULFONYL]-1H-PYRAZOLE-4-CARBOXYLATE.cml
Quick Release
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