4-Bromospiro[fluorene-9,9'-xanthene]

C₂₅H₁₅BrOCAS 1609484-45-8411.30 g/mol

Open in Covalent MOL file

Aryl halide Ether

Properties

Molecular formula: C₂₅H₁₅BrO
Molar mass: 411.30 g/mol
Exact mass: 410.0306 Da
logP: 6.92Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

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

Identifiers

CAS number

1609484-45-8

SMILES

C1=CC=C2C(=C1)C3=C(C24C5=CC=CC=C5OC6=CC=CC=C46)C=CC=C3Br

InChIKey

WQAGYCVGNQJYKT-UHFFFAOYSA-N

InChI

InChI=1S/C25H15BrO/c26-21-13-7-12-20-24(21)16-8-1-2-9-17(16)25(20)18-10-3-5-14-22(18)27-23-15-6-4-11-19(23)25/h1-15H

Weigh it out

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

Names and synonyms

1 names

4-Bromo-spiro[9H-fluorene-9,9'-[9H]xanthene]

Work with 4-Bromospiro[fluorene-9,9'-xanthene]

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

4-Bromo-9,9′-spirobi[9H-fluorene]1161009-88-674 % similar 4-Bromo-9,9-diphenyl-9H-fluorene713125-22-563 % similar 2,7-Bibromospiro[fluorene-9,9'-xanthene]198142-65-351 % similar 1-Bromo-9,9'-spirobi[9H-fluorene]1450933-18-247 % similar 9,9'-Spirobi[fluoren]-4-amine1579281-06-345 % similar 4,4,5,5-Tetramethyl-2-(spiro[fluorene-9,9'-xanthen]-2'-yl)-1,3,2-dioxaborolane2106888-79-145 % similar Spiro(9H-fluorene-9,9'-(9H)xanthene)-3',6'-diol4081-00-944 % similar 9,9'-Spirobi(9H-fluorene)159-66-042 % similar

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

Same formula

2'-Bromo-spiro[9H-fluorene-9,9'-[9H]xanthene]1477458-14-2 3-Bromospiro[fluorene-9,9'-xanthene]1609484-28-7 2-Bromospiro[fluorene-9,9'-xanthene]899422-06-1

Elsewhere

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