2-[5-(3-fluorobenzoyl)-6-methyl-[1,3]dioxolo[4,5-f]indol-7-yl]acetic acid

CAS: 50331-98-1

Molecular Formula	`C19H14FNO5`
Molecular Weight	355.3 g/mol
LogP	3.6
Topological Polar Surface Area	77.8 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	3
Exact Mass	355.0856
Heavy Atoms	26
Complexity	572.0

Chemical Identifiers

CAS Number	50331-98-1
SMILES	`CC1=C(C2=CC3=C(C=C2N1C(=O)C4=CC(=CC=C4)F)OCO3)CC(=O)O`
InChIKey	`SICXTOXYKMHEGL-UHFFFAOYSA-N`

📖 Product Overview

2-[5-(3-fluorobenzoyl)-6-methyl-[1,3]dioxolo[4,5-f]indol-7-yl]acetic acid (CAS: 50331-98-1) is a chemical compound with molecular formula C19H14FNO5 and molecular weight 355.3 g/mol. Its IUPAC systematic name is 2-[5-(3-fluorobenzoyl)-6-methyl-[1,3]dioxolo[4,5-f]indol-7-yl]acetic acid. LogP 3.6 Topological Polar Surface Area 77.8 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 6 Rotatable Bonds 3 Exact Mass 355.0856 Heavy Atoms 26 Complexity 572.0 InChI Key: SICXTOXYKMHEGL-UHFFFAOYSA-N. SMILES: CC1=C(C2=CC3=C(C=C2N1C(=O)C4=CC(=CC=C4)F)OCO3)CC(=O)O.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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