588675-49-4
3-CHLORO-4-FLUORO-N-2-PYRIMIDINYL-BENZO[B]THIOPHENE-2-CARBOXAMIDE
Name3-CHLORO-4-FLUORO-N-2-PYRIMIDINYL-BENZO[B]THIOPHENE-2-CARBOXAMIDE
FormulaC13 H7 Cl F N3 O S
1Identification
【Name】
3-CHLORO-4-FLUORO-N-2-PYRIMIDINYL-BENZO[B]THIOPHENE-2-CARBOXAMIDE
【CAS】
【MDL】
MFCD03943674
【English Synonyms】
【Formula】
C13 H7 Cl F N3 O S
【MolWeight】
307.735
【Inchi】
InChI=1S/C13H7ClFN3OS/c14-10-9-7(15)3-1-4-8(9)20-11(10)12(19)18-13-16-5-2-6-17-13/h1-6H,(H,16,17,18,19)
【InChIKey】
InChIKey=PKEQVVWDEYQFSJ-UHFFFAOYSA-N
【SMILES】
c1cc(c2c(c1)sc(c2Cl)C(=O)Nc3ncccn3)F
【MOL File】
3-CHLORO-4-FLUORO-N-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-CHLORO-4-FLUORO-N-2-PYRIMIDINYL-BENZO[B]THIOPHENE-2-CARBOXAMIDE.cml