BRN 5117455

ethyl 2-methyl-5-(oxiran-2-ylmethoxy)-1-phenylindole-3-carboxylate

CAS: 76410-18-9

Molecular Formula	`C21H21NO4`
Molecular Weight	351.4 g/mol
LogP	3.9
Topological Polar Surface Area	53.0 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	4
Rotatable Bonds	7
Exact Mass	351.14706
Heavy Atoms	26
Complexity	492.0

Chemical Identifiers

CAS Number	76410-18-9
SMILES	`CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC3CO3)C4=CC=CC=C4)C`
InChIKey	`BHHSMTHNBZAXQA-UHFFFAOYSA-N`

📖 Product Overview

BRN 5117455 (CAS: 76410-18-9) is a chemical compound with molecular formula C21H21NO4 and molecular weight 351.4 g/mol. Its IUPAC systematic name is ethyl 2-methyl-5-(oxiran-2-ylmethoxy)-1-phenylindole-3-carboxylate. LogP 3.9 Topological Polar Surface Area 53.0 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 4 Rotatable Bonds 7 Exact Mass 351.14706 Heavy Atoms 26 Complexity 492.0 InChI Key: BHHSMTHNBZAXQA-UHFFFAOYSA-N. SMILES: CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC3CO3)C4=CC=CC=C4)C.

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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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