709004-41-1
1-[(4-BROMOPHENYL)METHYL]-1H-INDOLE-3-CARBOXYLIC ACID METHYL ESTER
Name1-[(4-BROMOPHENYL)METHYL]-1H-INDOLE-3-CARBOXYLIC ACID METHYL ESTER
1Identification
【Name】
1-[(4-BROMOPHENYL)METHYL]-1H-INDOLE-3-CARBOXYLIC ACID METHYL ESTER
【CAS】
【MDL】
MFCD05994014
【English Synonyms】
【Formula】
C17 H14 Br N O2
【MolWeight】
344.207
【Inchi】
InChI=1S/C17H14BrNO2/c1-21-17(20)15-11-19(16-5-3-2-4-14(15)16)10-12-6-8-13(18)9-7-12/h2-9,11H,10H2,1H3
【InChIKey】
InChIKey=MYKRUZTYVRRDGX-UHFFFAOYSA-N
【SMILES】
COC(=O)c1cn(c2c1cccc2)Cc3ccc(cc3)Br
【MOL File】
1-[(4-BROMOPHENYL)ME….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-[(4-BROMOPHENYL)METHYL]-1H-INDOLE-3-CARBOXYLIC ACID METHYL ESTER.cml