862654-25-9
1H-INDOLE-3-CARBOXYLIC ACID, 1-[(2-CHLORO-6-FLUOROPHENYL)METHYL]-,METHYL ESTER
Name1H-INDOLE-3-CARBOXYLIC ACID, 1-[(2-CHLORO-6-FLUOROPHENYL)METHYL]-,METHYL ESTER
1Identification
【Name】
1H-INDOLE-3-CARBOXYLIC ACID, 1-[(2-CHLORO-6-FLUOROPHENYL)METHYL]-,METHYL ESTER
【CAS】
【MDL】
MFCD05128808
【English Synonyms】
【Formula】
C17 H13 Cl F N O2
【MolWeight】
317.746
【Inchi】
InChI=1S/C17H13ClFNO2/c1-22-17(21)12-9-20(16-8-3-2-5-11(12)16)10-13-14(18)6-4-7-15(13)19/h2-9H,10H2,1H3
【InChIKey】
InChIKey=QVFIWFMVNFWAQS-UHFFFAOYSA-N
【SMILES】
COC(=O)c1cn(c2c1cccc2)Cc3c(cccc3Cl)F
【MOL File】
1H-INDOLE-3-CARBOXYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1H-INDOLE-3-CARBOXYLIC ACID, 1-[(2-CHLORO-6-FLUOROPHENYL)METHYL]-,METHYL ESTER.cml