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3-Chloro-2-fluoro-6-(1-methyleneethyl)anisole

HCID 66969571
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
C=C(C)c1ccc(Cl)c(F)c1OC
InChIKey
RBPBFEUWFQUOKR-UHFFFAOYSA-N
Molecular formula
C10H10ClFO
Average molar mass
200.64 g/mol

Names & identifiers

Preferred name
3-Chloro-2-fluoro-6-(1-methyleneethyl)anisole
IUPAC
1-chloro-2-fluoro-3-methoxy-4-prop-1-en-2-ylbenzene

Names & synonyms

SCHEMBL1261888RBPBFEUWFQUOKR-UHFFFAOYSA-N3-chloro-2-fluoro-6-(1-methyleneethyl)anisole

Database identifiers

PubChem CID
66969571

Properties

Computed structural properties

XLogP
4
Topological polar surface area
9.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
13
Formal charge
0
Complexity
195

Related reactions

3 records
New reaction record
HRID 1362482 reaction equation
HRID 1362482As productuspto-grants-2011_02
HRID 1362483 reaction equation
HRID 1362483As reactantuspto-grants-2011_02
HRID 1535674 reaction equation
HRID 1535674As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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