1-[(2-Methylbut-3-yn-2-yl)oxy]-4-nitrobenzene

HCID 10081663

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Basic information

CAS: 2109-84-4
Standard SMILES: C#CC(C)(C)Oc1ccc([N+](=O)[O-])cc1
InChIKey: KUVSTBAMMGGNND-UHFFFAOYSA-N
Molecular formula: C11H11NO3
Average molar mass: 205.21 g/mol
Monoisotopic mass: 205.07389321

Names & identifiers

Preferred name: 1-[(2-Methylbut-3-yn-2-yl)oxy]-4-nitrobenzene
IUPAC: 1-(2-methylbut-3-yn-2-yloxy)-4-nitrobenzene

Names & synonyms

2109-84-41-[(2-Methylbut-3-yn-2-yl)oxy]-4-nitrobenzene1-(2-methylbut-3-yn-2-yloxy)-4-nitrobenzeneSCHEMBL7766740DTXSID90435302KUVSTBAMMGGNND-UHFFFAOYSA-NSY5660261-((2-methyl-3-butyn-2-yl)oxy)-4-nitrobenzene1-[(1,1-dimethyl-2-propynyl)oxy]-4-nitrobenzene

Database identifiers

CAS: 2109-84-4
PubChem CID: 10081663
DTXSID: DTXSID90435302

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 55.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 276

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