1-Fluoro-2-iodo-4-methoxy-5-methylbenzene

HCID 21070504

Notes Reactions

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Basic information

Standard SMILES: COc1cc(I)c(F)cc1C
InChIKey: BSCRXLNFUWALFO-UHFFFAOYSA-N
Molecular formula: C8H8FIO
Average molar mass: 266.05 g/mol
Monoisotopic mass: 265.96039

Names & identifiers

Preferred name: 1-Fluoro-2-iodo-4-methoxy-5-methylbenzene
IUPAC: 1-fluoro-2-iodo-4-methoxy-5-methylbenzene

Names & synonyms

741716-19-81-fluoro-2-iodo-4-methoxy-5-methylbenzene4-Fluoro-5-iodo-2-methylanisoleMFCD19440267SCHEMBL2908385BSCRXLNFUWALFO-UHFFFAOYSA-NAKOS037655539PS-117581-Methoxy-4-fluoro-5-iodo-2-methylbenzeneDB-1112951-fluoro-2-iodo-4-methoxy-5-methyl-benzene

Database identifiers

PubChem CID: 21070504

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 131

Related reactions

6 records

New reaction record

HRID 303167As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 1371817As reactantuspto-grants-2007_01

HRID 1435398As reactantuspto-grants-2009_11

HRID 1438166As productuspto-grants-2009_11

HRID 1438167As reactantuspto-grants-2009_11

HRID 2133563As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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