80090-41-1
P-(BENZO[B]THIEN-3-YLMETHYL)-PHOSPHONIC ACID, DIETHYL ESTER
NameP-(BENZO[B]THIEN-3-YLMETHYL)-PHOSPHONIC ACID, DIETHYL ESTER
1Identification
【Name】
P-(BENZO[B]THIEN-3-YLMETHYL)-PHOSPHONIC ACID, DIETHYL ESTER
【CAS】
【MDL】
MFCD13191977
【English Synonyms】
【Formula】
C13 H17 O3 P S
【MolWeight】
284.314
【Inchi】
InChI=1S/C13H17O3PS/c1-3-15-17(14,16-4-2)9-11-10-18-13-8-6-5-7-12(11)13/h5-8,10H,3-4,9H2,1-2H3
【InChIKey】
InChIKey=CBBDCBONPMJYAG-UHFFFAOYSA-N
【SMILES】
CCOP(=O)(Cc1csc2c1cccc2)OCC
【MOL File】
P-(BENZO[B]THIEN-3-Y….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
P-(BENZO[B]THIEN-3-YLMETHYL)-PHOSPHONIC ACID, DIETHYL ESTER.cml