76487-48-4
WR 226253
Name
WR 226253
Formula
C16 H15 Cl2 F3 N2 O . C H4 O3 S . H2 O
MolWeight
493.328
1Identification
【Name】
WR 226253
【CAS】
【MDL】
MFCD01749975
【English Synonyms】
【Formula】
C16 H15 Cl2 F3 N2 O . C H4 O3 S . H2 O
【MolWeight】
493.328
【Inchi】
InChI=1S/C16H15Cl2F3N2O.CH4O3S.H2O/c17-8-5-9-10(15(24)12-3-1-2-4-22-12)7-13(16(19,20)21)23-14(9)11(18)6-8;1-5(2,3)4;/h5-7,12,15,22,24H,1-4H2;1H3,(H,2,3,4);1H2
【InChIKey】
InChIKey=SMMXTKZNAJFGBF-UHFFFAOYSA-N
【SMILES】
CS(=O)(=O)O.c1c(cc(c2c1c(cc(n2)C(F)(F)F)C(C3CCCCN3)O)Cl)Cl.O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:3
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
WR 226253.cml
Quick Release
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Catalog No:API0016927 5MG
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