2-(3-Methoxy-3-methylbutoxy)-6-nitrobenzonitrile

HCID 67401151
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Basic information

Standard SMILES
COC(C)(C)CCOc1cccc([N+](=O)[O-])c1C#N
InChIKey
MUFFAHTXAPXSMW-UHFFFAOYSA-N
Molecular formula
C13H16N2O4
Average molar mass
264.28 g/mol

Names & identifiers

Preferred name
2-(3-Methoxy-3-methylbutoxy)-6-nitrobenzonitrile
IUPAC
2-(3-methoxy-3-methylbutoxy)-6-nitrobenzonitrile

Names & synonyms

SCHEMBL2419502MUFFAHTXAPXSMW-UHFFFAOYSA-N2-(3-methoxy-3-methylbutoxy)-6-nitrobenzonitrile

Database identifiers

PubChem CID
67401151

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
88.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
19

Related reactions

2 records
New reaction record

Compound notes

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