117621-64-4
ICI 192,605
Name
ICI 192,605
Formula
C22 H23 Cl O5
MolWeight
402.872
1Identification
【Name】
ICI 192,605
【CAS】
【MDL】
MFCD00673936
【English Synonyms】
【Formula】
C22 H23 Cl O5
【MolWeight】
402.872
【Inchi】
InChI=1S/C22H23ClO5/c23-18-11-6-4-9-16(18)22-27-14-15(8-2-1-3-13-20(25)26)21(28-22)17-10-5-7-12-19(17)24/h1-2,4-7,9-12,15,21-22,24H,3,8,13-14H2,(H,25,26)/b2-1-/t15-,21+,22+/m1/s1
【InChIKey】
InChIKey=WHUIENZXNGAHQI-GKZDNZBASA-N
【SMILES】
c1ccc(c(c1)[C@@H]2[C@@H](CO[C@@H](O2)c3ccccc3Cl)C/C=C\CCC(=O)O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
【Safety informationSymbol】
【Signal word】
【Hazard statements】
【Precautionary statements】
【hazard symbol】
【Risk Code】
【Safe Code】
【WGK Germany】
3
4CML File
ICI 192,605.cml
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