4-(2-Methylpropoxy)-3-nitrobenzaldehyde

HCID 28829481
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Basic information

Standard SMILES
CC(C)COc1ccc(C=O)cc1[N+](=O)[O-]
InChIKey
DQEAMVPZFBKDBM-UHFFFAOYSA-N
Molecular formula
C11H13NO4
Average molar mass
223.22 g/mol

Names & identifiers

Preferred name
4-(2-Methylpropoxy)-3-nitrobenzaldehyde
IUPAC
4-(2-methylpropoxy)-3-nitrobenzaldehyde

Names & synonyms

640767-99-34-(2-methylpropoxy)-3-nitrobenzaldehyde4-Isobutoxy-3-nitrobenzaldehyde4-Isobutoxy-3-nitro-benzaldehydeSCHEMBL1339963DQEAMVPZFBKDBM-UHFFFAOYSA-NAKOS008948966A1-04464

Database identifiers

PubChem CID
28829481

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
72.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
16

Related reactions

5 records
New reaction record

Compound notes

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