Compound C21H24ClNO5

(4-methoxyphenyl)-[3-(morpholin-4-ium-4-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methanone chloride

CAS: 100323-45-3

Molecular Formula	`C21H24ClNO5`
Molecular Weight	405.9 g/mol
Topological Polar Surface Area	58.4 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	5
Exact Mass	405.1343
Heavy Atoms	28
Complexity	487.0

Chemical Identifiers

CAS Number	100323-45-3
SMILES	`COC1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)OCC(O3)C[NH+]4CCOCC4.[Cl-]`
InChIKey	`BTJXBTQDLNKKHH-UHFFFAOYSA-N`

📖 Product Overview

Compound C21H24ClNO5 (CAS: 100323-45-3) is a chemical compound with molecular formula C21H24ClNO5 and molecular weight 405.9 g/mol. Its IUPAC systematic name is (4-methoxyphenyl)-[3-(morpholin-4-ium-4-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methanone chloride. Topological Polar Surface Area 58.4 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 6 Rotatable Bonds 5 Exact Mass 405.1343 Heavy Atoms 28 Complexity 487.0 InChI Key: BTJXBTQDLNKKHH-UHFFFAOYSA-N. SMILES: COC1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)OCC(O3)C[NH+]4CCOCC4.[Cl-].

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