5010-37-7
2-(4-BROMO-PHENYL)-5-HYDROXY-BENZOFURAN-3-CARBOXYLIC ACID ETHYL ESTER
Name2-(4-BROMO-PHENYL)-5-HYDROXY-BENZOFURAN-3-CARBOXYLIC ACID ETHYL ESTER
1Identification
【Name】
2-(4-BROMO-PHENYL)-5-HYDROXY-BENZOFURAN-3-CARBOXYLIC ACID ETHYL ESTER
【CAS】
【MDL】
MFCD18073543
【English Synonyms】
【Formula】
C17 H13 Br O4
【MolWeight】
361.19
【Inchi】
InChI=1S/C17H13BrO4/c1-2-21-17(20)15-13-9-12(19)7-8-14(13)22-16(15)10-3-5-11(18)6-4-10/h3-9,19H,2H2,1H3
【InChIKey】
InChIKey=IBWRIZMEFQJNPK-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1c2cc(ccc2oc1c3ccc(cc3)Br)O
【MOL File】
2-(4-BROMO-PHENYL)-5….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(4-BROMO-PHENYL)-5-HYDROXY-BENZOFURAN-3-CARBOXYLIC ACID ETHYL ESTER.cml