Benzo(b)naphtho(1,2-d)furan

C₁₆H₁₀OCAS 205-39-0218.25 g/mol

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Properties

Molecular formula: C₁₆H₁₀O
Molar mass: 218.25 g/mol
Exact mass: 218.0732 Da
logP: 4.74Crippen estimate
Polar surface area: 13.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Warning

H400 Very toxic to aquatic life100% of notifiers
H410 Very toxic to aquatic life with long lasting effects100% of notifiers

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

Precautionary statements

P273, P391, P501

Identifiers

CAS number

205-39-0

SMILES

C1=CC=C2C(=C1)C=CC3=C2C4=CC=CC=C4O3

InChIKey

XVWNNQQHTXDOLJ-UHFFFAOYSA-N

InChI

InChI=1S/C16H10O/c1-2-6-12-11(5-1)9-10-15-16(12)13-7-3-4-8-14(13)17-15/h1-10H

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Names and synonyms

1 names

Benzo[B]naphtho[1,2-D]furan

Work with Benzo(b)naphtho(1,2-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

Dibenzofuran132-64-954 % similar 1-Bromodibenzofuran50548-45-353 % similar 1-Chlorodibenzofuran84761-86-453 % similar 1-Fluorodibenzo[B,D]furan182349-08-252 % similar 1-Dibenzofuranol33483-06-652 % similar 1-Dibenzofuranamine50548-40-852 % similar 1-Bromodibenzofuran-2-ol91267-95-750 % similar Beta-naphthoflavone6051-87-247 % similar

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

Same formula

1-Hydroxypyrene5315-79-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook