2-Bromobenzo(b)naphtho(2,3-d)furan

C₁₆H₉BrOCAS 1627917-16-1297.15 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₁₆H₉BrO
Molar mass: 297.15 g/mol
Exact mass: 295.9837 Da
logP: 5.50Crippen estimate
Polar surface area: 13.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H335 May cause respiratory irritation50% of notifiers
H341 Suspected of causing genetic defects50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1627917-16-1

SMILES

C1=CC=C2C=C3C(=CC2=C1)C4=C(O3)C=CC(=C4)Br

InChIKey

SXNOGSKQBHIZHE-UHFFFAOYSA-N

InChI

InChI=1S/C16H9BrO/c17-12-5-6-15-14(9-12)13-7-10-3-1-2-4-11(10)8-16(13)18-15/h1-9H

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

Names and synonyms

1 names

2-Bromobenzo[B]-naphtho[2,3-D]furan

Work with 2-Bromobenzo(b)naphtho(2,3-d)furan

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

2,8-Dibromodibenzofuran10016-52-170 % similar 2-Bromodibenzofuran86-76-070 % similar 3-Bromodibenzofuran26608-06-059 % similar Benzo[b]naphtho[2,3-d]furan-2-boronic acid1627917-17-256 % similar 8-Bromo-1-chlorodibenzo[B,D]furan2225909-61-351 % similar 2-Bromonaphthalene580-13-250 % similar 3-Bromophenanthrene715-50-450 % similar 2-Bromoanthracene7321-27-948 % similar

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

Same formula

3-Bromonaphtho[2,3-b]benzofuran1256544-32-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook