5-Bromo-2-ethylbenzaldehyde

HCID 54772389

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CCc1ccc(Br)cc1C=O
InChIKey: UMGJVMRBOMDAMJ-UHFFFAOYSA-N
Molecular formula: C9H9BrO
Average molar mass: 213.07 g/mol

Names & identifiers

Preferred name: 5-Bromo-2-ethylbenzaldehyde
IUPAC: 5-bromo-2-ethylbenzaldehyde

Names & synonyms

5-bromo-2-ethylbenzaldehyde946001-65-65-Bromo-2-ethyl-benzaldehydeMFCD16619424SCHEMBL868076UMGJVMRBOMDAMJ-UHFFFAOYSA-NCL9497AKOS005258978AS-46375DB-340720CS-0296672EN300-6505402

Show more names

F474940

Database identifiers

PubChem CID: 54772389

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 136

Related reactions

12 records

New reaction record

HRID 167836As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 879050As productuspto-grants-2015_03

HRID 879051As reactantuspto-grants-2015_03

HRID 879082As reactantuspto-grants-2015_03

HRID 1193209As productuspto-grants-2014_03

HRID 1193210As reactantuspto-grants-2014_03

HRID 1193242As reactantuspto-grants-2014_03

HRID 1540153As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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