2-Fluoro-3-iodo-4-methoxybenzaldehyde

HCID 21966477

Notes Reactions

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Basic information

Standard SMILES: COc1ccc(C=O)c(F)c1I
InChIKey: KZRXNWKQSSTNPU-UHFFFAOYSA-N
Molecular formula: C8H6FIO2
Average molar mass: 280.03 g/mol

Names & identifiers

Preferred name: 2-Fluoro-3-iodo-4-methoxybenzaldehyde
IUPAC: 2-fluoro-3-iodo-4-methoxybenzaldehyde

Names & synonyms

2-fluoro-3-iodo-4-methoxybenzaldehyde2365419-30-1MFCD32065821SCHEMBL5757371KZRXNWKQSSTNPU-UHFFFAOYSA-N2-Fluoro-3-iodo-4-methoxy benzaldehyde2-fluoro-3-iodo-4-methoxy-benzaldehydeBS-35034CS-0190934E95128F628896

Database identifiers

PubChem CID: 21966477

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 165

Related reactions

6 records

New reaction record

HRID 1206377As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1230163As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 2141226As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

HRID 2212586As reactantuspto-grants-2006_09

HRID 2212590As productuspto-grants-2006_09

HRID 2212592As reactantuspto-grants-2006_09

Compound notes

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