chempirical

1-Bromo-2-(bromomethyl)naphthalene

C11H8Br2CAS 37763-43-2299.99 g/mol

Open in Covalent MOL file
BrBr
Alkyl halideAryl halide

Properties

Molecular formula
C11H8Br2
Molar mass
299.99 g/mol
Exact mass
297.8993 Da
Melting point
103.5–105.5 °C
logP
4.50Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Identifiers

CAS number
37763-43-2
SMILES
BrCc1ccc2ccccc2c1Br
InChIKey
DQTOCXIHYIQHCK-UHFFFAOYSA-N
InChI
InChI=1S/C11H8Br2/c12-7-9-6-5-8-3-1-2-4-10(8)11(9)13/h1-6H,7H2

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Names and synonyms

2 names
  • Naphthalene, 1-bromo-2-(bromomethyl)-
  • NSC 97068

Work with 1-Bromo-2-(bromomethyl)naphthalene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Bromo-2-naphthalenamine20191-75-750 % similar 1-Bromo-2-methylnaphthalene2586-62-150 % similar 1-Bromo-2-hydroxynaphthalene573-97-750 % similar 9-Bromoanthracene1564-64-348 % similar 1-Bromo-2-naphthalenecarboxaldehyde3378-82-346 % similar 1-Bromo-2-methoxynaphthalene3401-47-646 % similar Xylylene dibromide91-13-444 % similar 2-Bromo-1-(bromomethyl)-3-fluorobenzene1184918-22-644 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook