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6-Bromo-1-ethenyl-2-methoxynaphthalene

HCID 22018461
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
C=Cc1c(OC)ccc2cc(Br)ccc12
InChIKey
DMSKOJUTQUTNFR-UHFFFAOYSA-N
Molecular formula
C13H11BrO
Average molar mass
263.13 g/mol

Names & identifiers

Preferred name
6-Bromo-1-ethenyl-2-methoxynaphthalene
IUPAC
6-bromo-1-ethenyl-2-methoxynaphthalene

Names & synonyms

SCHEMBL5752881DMSKOJUTQUTNFR-UHFFFAOYSA-N6-bromo-1-ethenyl-2-methoxynaphthalene

Database identifiers

PubChem CID
22018461

Properties

Computed structural properties

XLogP
4.6
Topological polar surface area
9.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
15
Formal charge
0
Complexity
229

Related reactions

2 records
New reaction record
HRID 182466 reaction equation
HRID 182466As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 1368545 reaction equation
HRID 1368545As reactantuspto-grants-2003_06

Compound notes

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