6-Bromo-2-methoxy-1-methylnaphthalene

HCID 22018338

Notes Reactions

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Basic information

CAS: 247174-14-7
Standard SMILES: COc1ccc2cc(Br)ccc2c1C
InChIKey: SUJMWZOKVNXBLD-UHFFFAOYSA-N
Molecular formula: C12H11BrO
Average molar mass: 251.12 g/mol
Monoisotopic mass: 249.99933

Names & identifiers

Preferred name: 6-Bromo-2-methoxy-1-methylnaphthalene
IUPAC: 6-bromo-2-methoxy-1-methylnaphthalene

Names & synonyms

6-Bromo-2-methoxy-1-methylnaphthalene247174-14-7RefChem:307432Naphthalene, 6-bromo-2-methoxy-1-methyl-SCHEMBL5752998SUJMWZOKVNXBLD-UHFFFAOYSA-NDTXSID701286602

Database identifiers

CAS: 247174-14-7
PubChem CID: 22018338
DTXSID: DTXSID701286602

Properties

Computed structural propertiesFilling in

XLogP: 4.2
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 195

Related reactions

4 records

New reaction record

HRID 120829As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 952144As reactantValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1368542As reactantuspto-grants-2003_06

HRID 2341832As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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