588673-81-8
BENZO[B]THIOPHENE-2-CARBOXAMIDE, N-[1-(1,3-BENZODIOXOL-5-YL)ETHYL]-3-CHLORO-4-FLUORO-
NameBENZO[B]THIOPHENE-2-CARBOXAMIDE, N-[1-(1,3-BENZODIOXOL-5-YL)ETHYL]-3-CHLORO-4-FLUORO-
FormulaC18 H13 Cl F N O3 S
1Identification
【Name】
BENZO[B]THIOPHENE-2-CARBOXAMIDE, N-[1-(1,3-BENZODIOXOL-5-YL)ETHYL]-3-CHLORO-4-FLUORO-
【CAS】
【MDL】
MFCD03943505
【English Synonyms】
【Formula】
C18 H13 Cl F N O3 S
【MolWeight】
377.822
【Inchi】
InChI=1S/C18H13ClFNO3S/c1-9(10-5-6-12-13(7-10)24-8-23-12)21-18(22)17-16(19)15-11(20)3-2-4-14(15)25-17/h2-7,9H,8H2,1H3,(H,21,22)
【InChIKey】
InChIKey=FJOYCHBRBSKQSY-UHFFFAOYSA-N
【SMILES】
CC(c1ccc2c(c1)OCO2)NC(=O)c3c(c4c(cccc4s3)F)Cl
【MOL File】
BENZO[B]THIOPHENE-2-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
BENZO[B]THIOPHENE-2-CARBOXAMIDE, N-[1-(1,3-BENZODIOXOL-5-YL)ETHYL]-3-CHLORO-4-FLUORO-.cml