587838-69-5
BENZO[B]THIOPHENE-2-CARBOXYLIC ACID, 3,6-DICHLORO-, 2-[(2-FLUORO-5-NITROPHENYL)AMINO]-2-OXOETHYL ESTER
NameBENZO[B]THIOPHENE-2-CARBOXYLIC ACID, 3,6-DICHLORO-, 2-[(2-FLUORO-5-NITROPHENYL)AMINO]-2-OXOETHYL ESTER
FormulaC17 H9 Cl2 F N2 O5 S
1Identification
【Name】
BENZO[B]THIOPHENE-2-CARBOXYLIC ACID, 3,6-DICHLORO-, 2-[(2-FLUORO-5-NITROPHENYL)AMINO]-2-OXOETHYL ESTER
【CAS】
【MDL】
MFCD05307906
【English Synonyms】
【Formula】
C17 H9 Cl2 F N2 O5 S
【MolWeight】
443.237
【Inchi】
InChI=1S/C17H9Cl2FN2O5S/c18-8-1-3-10-13(5-8)28-16(15(10)19)17(24)27-7-14(23)21-12-6-9(22(25)26)2-4-11(12)20/h1-6H,7H2,(H,21,23)
【InChIKey】
InChIKey=LRCSJRJHADUZLL-UHFFFAOYSA-N
【SMILES】
c1cc(c(cc1[N+](=O)[O-])NC(=O)COC(=O)c2c(c3ccc(cc3s2)Cl)Cl)F
【MOL File】
BENZO[B]THIOPHENE-2-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
BENZO[B]THIOPHENE-2-CARBOXYLIC ACID, 3,6-DICHLORO-, 2-[(2-FLUORO-5-NITROPHENYL)AMINO]-2-OXOETHYL ESTER.cml