4-Tert-butyl-1-methoxy-2-nitrobenzene

HCID 4178447
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1ccc(C(C)(C)C)cc1[N+](=O)[O-]
InChIKey
VGKBXJBNEFDGJL-UHFFFAOYSA-N
Molecular formula
C11H15NO3
Average molar mass
209.24 g/mol

Names & identifiers

Preferred name
4-Tert-butyl-1-methoxy-2-nitrobenzene
IUPAC
4-tert-butyl-1-methoxy-2-nitrobenzene

Names & synonyms

4-(tert-Butyl)-1-methoxy-2-nitrobenzene91247-60-84-tert-butyl-1-methoxy-2-nitrobenzene2-nitro-4-tertbutylanisoleSCHEMBL8626579SCHEMBL28644790VGKBXJBNEFDGJL-UHFFFAOYSA-NAKOS022796968

Database identifiers

PubChem CID
4178447
Nikkaji
J465.154E

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
55.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
15

Experimental & physicochemical properties

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Related reactions

15 records
New reaction record

Compound notes

Loading…