4-Bromo-1-(cyclopentyloxy)-2-nitrobenzene

HCID 61375873

Notes Reactions

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Basic information

CAS: 871830-22-7
Standard SMILES: O=[N+]([O-])c1cc(Br)ccc1OC1CCCC1
InChIKey: DOFMKKALRMNHEH-UHFFFAOYSA-N
Molecular formula: C11H12BrNO3
Average molar mass: 286.12 g/mol
Monoisotopic mass: 285.00006

Names & identifiers

Preferred name: 4-Bromo-1-(cyclopentyloxy)-2-nitrobenzene
IUPAC: 4-bromo-1-cyclopentyloxy-2-nitrobenzene

Names & synonyms

4-Bromo-1-(cyclopentyloxy)-2-nitrobenzene871830-22-7SCHEMBL3575139SCHEMBL30153266DOFMKKALRMNHEH-UHFFFAOYSA-NDTXSID401270080AKOS0106337434-Bromo-1-cyclopentoxy-2-nitrobenzeneDB-380570Benzene, 4-bromo-1-(cyclopentyloxy)-2-nitro-

Database identifiers

CAS: 871830-22-7
PubChem CID: 61375873
DTXSID: DTXSID401270080

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 55.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 250

Related reactions

3 records

New reaction record

HRID 646173As productuspto-grants-2010_04

HRID 646174As reactantuspto-grants-2010_04

HRID 1550531As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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