50331-98-1
5-(3-FLUOROBENZOYL)-6-METHYL-5H-1,3-DIOXOLO[4,5-F]INDOLE-7-ACETIC ACID
Name5-(3-FLUOROBENZOYL)-6-METHYL-5H-1,3-DIOXOLO[4,5-F]INDOLE-7-ACETIC ACID
1Identification
【Name】
5-(3-FLUOROBENZOYL)-6-METHYL-5H-1,3-DIOXOLO[4,5-F]INDOLE-7-ACETIC ACID
【CAS】
【MDL】
MFCD01730029
【English Synonyms】
【Formula】
C19 H14 F N O5
【MolWeight】
355.32
【Inchi】
InChI=1S/C19H14FNO5/c1-10-13(7-18(22)23)14-6-16-17(26-9-25-16)8-15(14)21(10)19(24)11-3-2-4-12(20)5-11/h2-6,8H,7,9H2,1H3,(H,22,23)
【InChIKey】
InChIKey=SICXTOXYKMHEGL-UHFFFAOYSA-N
【SMILES】
Cc1c(c2cc3c(cc2n1C(=O)c4cccc(c4)F)OCO3)CC(=O)O
【MOL File】
5-(3-FLUOROBENZOYL)-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-(3-FLUOROBENZOYL)-6-METHYL-5H-1,3-DIOXOLO[4,5-F]INDOLE-7-ACETIC ACID.cml