3-Formyl-2-methyl-7-nitrobenzo[b]furan

HCID 86753552

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: Cc1oc2c([N+](=O)[O-])cccc2c1C=O
InChIKey: RTMCQPTZEMVSGC-UHFFFAOYSA-N
Molecular formula: C10H7NO4
Average molar mass: 205.17 g/mol

Names & identifiers

Preferred name: 3-Formyl-2-methyl-7-nitrobenzo[b]furan
IUPAC: 2-methyl-7-nitro-1-benzofuran-3-carbaldehyde

Names & synonyms

SCHEMBL7827949RTMCQPTZEMVSGC-UHFFFAOYSA-N3-formyl-2-methyl-7-nitrobenzo[b]furan

Database identifiers

PubChem CID: 86753552

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 76 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 15
Formal charge: 0
Complexity: 275

Related reactions

6 records

New reaction record

HRID 87458 reaction equation

HRID 87458As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 342423 reaction equation

HRID 342423As productuspto-grants-1999_01

HRID 342427 reaction equation

HRID 342427As reactantuspto-grants-1999_01

HRID 342433 reaction equation

HRID 342433As reactantuspto-grants-1999_01

HRID 1538163 reaction equation

HRID 1538163As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 2132346 reaction equation

HRID 2132346As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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