585556-96-3
3-BENZOFURANCARBOXYLIC ACID, 6-BROMO-5-[(2-FLUOROBENZOYL)OXY]-2-METHYL-, ETHYL ESTER
Name3-BENZOFURANCARBOXYLIC ACID, 6-BROMO-5-[(2-FLUOROBENZOYL)OXY]-2-METHYL-, ETHYL ESTER
1Identification
【Name】
3-BENZOFURANCARBOXYLIC ACID, 6-BROMO-5-[(2-FLUOROBENZOYL)OXY]-2-METHYL-, ETHYL ESTER
【CAS】
【MDL】
MFCD04030537
【English Synonyms】
【Formula】
C19 H14 Br F O5
【MolWeight】
421.217
【Inchi】
InChI=1S/C19H14BrFO5/c1-3-24-19(23)17-10(2)25-15-9-13(20)16(8-12(15)17)26-18(22)11-6-4-5-7-14(11)21/h4-9H,3H2,1-2H3
【InChIKey】
InChIKey=FLKBUIIRIIQLHM-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1c(oc2c1cc(c(c2)Br)OC(=O)c3ccccc3F)C
【MOL File】
3-BENZOFURANCARBOXYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-BENZOFURANCARBOXYLIC ACID, 6-BROMO-5-[(2-FLUOROBENZOYL)OXY]-2-METHYL-, ETHYL ESTER.cml