3-(azepan-1-ylmethyl)-6-nitro-1H-indole

CAS: 340968-00-5

Molecular Formula	`C15H19N3O2`
Molecular Weight	273.33 g/mol
LogP	2.9
Topological Polar Surface Area	64.9 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	3
Rotatable Bonds	2
Exact Mass	273.14774
Heavy Atoms	20
Complexity	337.0

Chemical Identifiers

CAS Number	340968-00-5
SMILES	`C1CCCN(CC1)CC2=CNC3=C2C=CC(=C3)[N+](=O)[O-]`
InChIKey	`JAYXGHMHYKCWKM-UHFFFAOYSA-N`

📖 Product Overview

3-(azepan-1-ylmethyl)-6-nitro-1H-indole (CAS: 340968-00-5) is a chemical compound with molecular formula C15H19N3O2 and molecular weight 273.33 g/mol. Its IUPAC systematic name is 3-(azepan-1-ylmethyl)-6-nitro-1H-indole. LogP 2.9 Topological Polar Surface Area 64.9 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 3 Rotatable Bonds 2 Exact Mass 273.14774 Heavy Atoms 20 Complexity 337.0 InChI Key: JAYXGHMHYKCWKM-UHFFFAOYSA-N. SMILES: C1CCCN(CC1)CC2=CNC3=C2C=CC(=C3)[N+](=O)[O-].

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