(8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-methyl-prop-2-ynylazanium chloride

CAS: 37483-80-0

Molecular Formula	`C14H17Cl2NO`
Molecular Weight	286.2 g/mol
Topological Polar Surface Area	13.7 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	2
Rotatable Bonds	2
Exact Mass	285.06873
Heavy Atoms	18
Complexity	298.0

Chemical Identifiers

CAS Number	37483-80-0
SMILES	`C[NH+](CC#C)C1CCCOC2=C1C=CC(=C2)Cl.[Cl-]`
InChIKey	`JNWQABFLROTXCL-UHFFFAOYSA-N`

📖 Product Overview

(8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-methyl-prop-2-ynylazanium chloride (CAS: 37483-80-0) is a chemical compound with molecular formula C14H17Cl2NO and molecular weight 286.2 g/mol. Its IUPAC systematic name is (8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-methyl-prop-2-ynylazanium chloride. Topological Polar Surface Area 13.7 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 2 Rotatable Bonds 2 Exact Mass 285.06873 Heavy Atoms 18 Complexity 298.0 InChI Key: JNWQABFLROTXCL-UHFFFAOYSA-N. SMILES: C[NH+](CC#C)C1CCCOC2=C1C=CC(=C2)Cl.[Cl-].

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