889953-68-8
3-(2-CHLORO-ETHYL)-2-METHYL-1H-INDOLE-5-CARBOXYLIC ACID
Name3-(2-CHLORO-ETHYL)-2-METHYL-1H-INDOLE-5-CARBOXYLIC ACID
1Identification
【Name】
3-(2-CHLORO-ETHYL)-2-METHYL-1H-INDOLE-5-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD06660480
【English Synonyms】
【Formula】
C12 H12 Cl N O2
【MolWeight】
237.685
【Inchi】
InChI=1S/C12H12ClNO2/c1-7-9(4-5-13)10-6-8(12(15)16)2-3-11(10)14-7/h2-3,6,14H,4-5H2,1H3,(H,15,16)
【InChIKey】
InChIKey=MTVVDWOMOVTFJO-UHFFFAOYSA-N
【SMILES】
Cc1c(c2cc(ccc2[nH]1)C(=O)O)CCCl
【MOL File】
3-(2-CHLORO-ETHYL)-2….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:3
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(2-CHLORO-ETHYL)-2-METHYL-1H-INDOLE-5-CARBOXYLIC ACID.cml