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831230-69-4
[2-CHLORO-4-(1-PIPERIDINYLSULFONYL)PHENOXY]-ACETIC ACID
Name
[2-CHLORO-4-(1-PIPERIDINYLSULFONYL)PHENOXY]-ACETIC ACID
Formula
C13 H16 Cl N O5 S
MolWeight
333.79
1Identification
【Name】
[2-CHLORO-4-(1-PIPERIDINYLSULFONYL)PHENOXY]-ACETIC ACID
【CAS】
【MDL】
MFCD06626753
【English Synonyms】
【Formula】
C13 H16 Cl N O5 S
【MolWeight】
333.79
【Inchi】
InChI=1S/C13H16ClNO5S/c14-11-8-10(4-5-12(11)20-9-13(16)17)21(18,19)15-6-2-1-3-7-15/h4-5,8H,1-3,6-7,9H2,(H,16,17)
【InChIKey】
InChIKey=UCTSATSGTLYBNX-UHFFFAOYSA-N
【SMILES】
c1cc(c(cc1S(=O)(=O)N2CCCCC2)Cl)OCC(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
[2-CHLORO-4-(1-PIPERIDINYLSULFONYL)PHENOXY]-ACETIC ACID.cml
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