5-Bromoacenaphthene

C₁₂H₉BrCAS 2051-98-1233.11 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₉Br
Molar mass: 233.11 g/mol
Exact mass: 231.9888 Da
Melting point: 52 °C
Boiling point: 335 °C
logP: 3.70Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Identifiers

CAS number

2051-98-1

SMILES

Brc1ccc2c3c(cccc13)CC2

InChIKey

QALKJGMGKYKMKE-UHFFFAOYSA-N

InChI

InChI=1S/C12H9Br/c13-11-7-6-9-5-4-8-2-1-3-10(11)12(8)9/h1-3,6-7H,4-5H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names

Acenaphthylene, 5-bromo-1,2-dihydro-
Acenaphthene, 5-bromo-
5-Bromo-1,2-dihydroacenaphthylene
NSC 59823

Work with 5-Bromoacenaphthene

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,4-Dibromonaphthalene83-53-448 % similar 5-Nitroacenaphthene602-87-944 % similar Acenaphthene83-32-944 % similar 1,8-Dibromopyrene38303-35-443 % similar 4-Bromo-1,8-naphthalic anhydride81-86-741 % similar 4-Bromopyrene1732-26-939 % similar 3-Bromobenzanthrone81-96-938 % similar 2-Bromobenzeneethanol1074-16-438 % similar

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

Same formula

2-Bromobiphenyl2052-07-5 3-Bromobiphenyl2113-57-7 4-Bromobiphenyl92-66-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook