588675-30-3
3-CHLORO-4-FLUORO-N-4-MORPHOLINYL-BENZO[B]THIOPHENE-2-CARBOXAMIDE
Name3-CHLORO-4-FLUORO-N-4-MORPHOLINYL-BENZO[B]THIOPHENE-2-CARBOXAMIDE
FormulaC13 H12 Cl F N2 O2 S
1Identification
【Name】
3-CHLORO-4-FLUORO-N-4-MORPHOLINYL-BENZO[B]THIOPHENE-2-CARBOXAMIDE
【CAS】
【MDL】
MFCD03943655
【English Synonyms】
【Formula】
C13 H12 Cl F N2 O2 S
【MolWeight】
314.767
【Inchi】
InChI=1S/C13H12ClFN2O2S/c14-11-10-8(15)2-1-3-9(10)20-12(11)13(18)16-17-4-6-19-7-5-17/h1-3H,4-7H2,(H,16,18)
【InChIKey】
InChIKey=NRXSYNMDOZXGQH-UHFFFAOYSA-N
【SMILES】
c1cc(c2c(c1)sc(c2Cl)C(=O)NN3CCOCC3)F
【MOL File】
3-CHLORO-4-FLUORO-N-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-CHLORO-4-FLUORO-N-4-MORPHOLINYL-BENZO[B]THIOPHENE-2-CARBOXAMIDE.cml