587836-85-9
BENZO[B]THIOPHENE-2-CARBOXYLIC ACID, 3-CHLORO-, 2-(2,5-DIMETHYLPHENYL)-2-OXOETHYL ESTER
NameBENZO[B]THIOPHENE-2-CARBOXYLIC ACID, 3-CHLORO-, 2-(2,5-DIMETHYLPHENYL)-2-OXOETHYL ESTER
1Identification
【Name】
BENZO[B]THIOPHENE-2-CARBOXYLIC ACID, 3-CHLORO-, 2-(2,5-DIMETHYLPHENYL)-2-OXOETHYL ESTER
【CAS】
【MDL】
MFCD04732029
【English Synonyms】
【Formula】
C19 H15 Cl O3 S
【MolWeight】
358.844
【Inchi】
InChI=1S/C19H15ClO3S/c1-11-7-8-12(2)14(9-11)15(21)10-23-19(22)18-17(20)13-5-3-4-6-16(13)24-18/h3-9H,10H2,1-2H3
【InChIKey】
InChIKey=RWLJVTVYVCTRQG-UHFFFAOYSA-N
【SMILES】
Cc1ccc(c(c1)C(=O)COC(=O)c2c(c3ccccc3s2)Cl)C
【MOL File】
BENZO[B]THIOPHENE-2-….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
BENZO[B]THIOPHENE-2-CARBOXYLIC ACID, 3-CHLORO-, 2-(2,5-DIMETHYLPHENYL)-2-OXOETHYL ESTER.cml