1-Fluoro-3-(3-methylphenoxy)benzene

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Basic information

CAS: 65295-57-0
Standard SMILES: Cc1cccc(Oc2cccc(F)c2)c1
InChIKey: CQQKJQFZEKLGFT-UHFFFAOYSA-N
Molecular formula: C13H11FO
Average molar mass: 202.22 g/mol
Monoisotopic mass: 202.07939313

Names & identifiers

Preferred name: 1-Fluoro-3-(3-methylphenoxy)benzene
IUPAC: 1-fluoro-3-(3-methylphenoxy)benzene

Names & synonyms

1-Fluoro-3-(3-methylphenoxy)benzene65295-57-03-(3-fluorophenoxy)-tolueneSCHEMBL920607SCHEMBL5541876SCHEMBL11352161SCHEMBL11389395SCHEMBL20240626DTXSID00608848CQQKJQFZEKLGFT-UHFFFAOYSA-N

Database identifiers

CAS: 65295-57-0
PubChem CID: 20570697
DTXSID: DTXSID00608848

Properties

Computed structural properties

XLogP: 4.3
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 195

Related reactions

2 records

New reaction record

HRID 678697As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1733486As reactantuspto-grants-1980_12

Compound notes

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