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1-Bromomethyl-2-fluoro-4-phenoxy-benzene

HCID 57656013
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Fc1cc(Oc2ccccc2)ccc1CBr
InChIKey
ZJWJOLCUJVORDM-UHFFFAOYSA-N
Molecular formula
C13H10BrFO
Average molar mass
281.12 g/mol

Names & identifiers

Preferred name
1-Bromomethyl-2-fluoro-4-phenoxy-benzene
IUPAC
1-(bromomethyl)-2-fluoro-4-phenoxybenzene

Names & synonyms

SCHEMBL506626ZJWJOLCUJVORDM-UHFFFAOYSA-N1-Bromomethyl-2-fluoro-4-phenoxy-benzene1-(bromomethyl)-2-fluoro-4-phenoxybenzeneDB-126643864265-18-9

Database identifiers

PubChem CID
57656013

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
9.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
16
Formal charge
0
Complexity
206

Related reactions

3 records
New reaction record
HRID 911461 reaction equation
HRID 911461As productuspto-grants-2011_09
HRID 2041341 reaction equation
HRID 2041341As productuspto-grants-2013_11
HRID 2330066 reaction equation
HRID 2330066As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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