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109623-97-4
GEDOCARNIL
Name
GEDOCARNIL
Formula
C23 H21 Cl N2 O4
MolWeight
424.882
1Identification
【Name】
GEDOCARNIL
【CAS】
【MDL】
MFCD00866980
【English Synonyms】
【Formula】
C23 H21 Cl N2 O4
【MolWeight】
424.882
【Inchi】
InChI=1S/C23H21ClN2O4/c1-13(2)29-23(27)22-16(12-28-3)20-18(11-25-22)26-17-5-4-6-19(21(17)20)30-15-9-7-14(24)8-10-15/h4-11,13,26H,12H2,1-3H3
【InChIKey】
InChIKey=SLYDYLLJUXFULK-UHFFFAOYSA-N
【SMILES】
CC(C)OC(=O)c1c(c2c(cn1)[nH]c3c2c(ccc3)Oc4ccc(cc4)Cl)COC
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
GEDOCARNIL.cml
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