Compound C13H20BrNO2

5-(azepan-1-ylmethyl)-3-bromo-4,5-dimethylfuran-2-one

CAS: 104502-49-0

Molecular Formula	`C13H20BrNO2`
Molecular Weight	302.21 g/mol
LogP	2.5
Topological Polar Surface Area	29.5 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	3
Rotatable Bonds	2
Exact Mass	301.06775
Heavy Atoms	17
Complexity	345.0

Chemical Identifiers

CAS Number	104502-49-0
SMILES	`CC1=C(C(=O)OC1(C)CN2CCCCCC2)Br`
InChIKey	`YRZKWGYROZTWQU-UHFFFAOYSA-N`

📖 Product Overview

Compound C13H20BrNO2 (CAS: 104502-49-0) is a chemical compound with molecular formula C13H20BrNO2 and molecular weight 302.21 g/mol. Its IUPAC systematic name is 5-(azepan-1-ylmethyl)-3-bromo-4,5-dimethylfuran-2-one. LogP 2.5 Topological Polar Surface Area 29.5 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 3 Rotatable Bonds 2 Exact Mass 301.06775 Heavy Atoms 17 Complexity 345.0 InChI Key: YRZKWGYROZTWQU-UHFFFAOYSA-N. SMILES: CC1=C(C(=O)OC1(C)CN2CCCCCC2)Br.

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