1227270-89-4
3,6-DIMETHYL-7-CHLOROINDOLE-2-ETHYL CARBOXYLATE
Name3,6-DIMETHYL-7-CHLOROINDOLE-2-ETHYL CARBOXYLATE
1Identification
【Name】
3,6-DIMETHYL-7-CHLOROINDOLE-2-ETHYL CARBOXYLATE
【CAS】
【MDL】
MFCD16876003
【English Synonyms】
【Formula】
C13 H14 Cl N O2
【MolWeight】
251.712
【Inchi】
InChI=1S/C13H14ClNO2/c1-4-17-13(16)11-8(3)9-6-5-7(2)10(14)12(9)15-11/h5-6,15H,4H2,1-3H3
【InChIKey】
InChIKey=QMJSGYRUDCYFHP-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1c(c2ccc(c(c2[nH]1)Cl)C)C
【MOL File】
3,6-DIMETHYL-7-CHLOR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3,6-DIMETHYL-7-CHLOROINDOLE-2-ETHYL CARBOXYLATE.cml