2,7-Dibromo-9,10-phenanthrenedione

C₁₄H₆Br₂O₂CAS 84405-44-7366.01 g/mol

Open in Covalent MOL file

Aryl halide Ketone

Properties

Molecular formula: C₁₄H₆Br₂O₂
Molar mass: 366.01 g/mol
Exact mass: 363.8735 Da
logP: 4.26Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation33.3% of notifiers
H319 Causes serious eye irritation100% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number

84405-44-7

SMILES

C1=CC2=C(C=C1Br)C(=O)C(=O)C3=C2C=CC(=C3)Br

InChIKey

LTZIIBSPYWTOQV-UHFFFAOYSA-N

InChI

InChI=1S/C14H6Br2O2/c15-7-1-3-9-10-4-2-8(16)6-12(10)14(18)13(17)11(9)5-7/h1-6H

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Names and synonyms

1 names

2,7-Dibromophenanthrene-9,10-dione

Work with 2,7-Dibromo-9,10-phenanthrenedione

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

2,7-Dibromo-9-fluorenone14348-75-569 % similar 3-Bromophenanthrene-9,10-dione13292-05-263 % similar 2-Bromo-9-fluorenone3096-56-858 % similar 5-Bromoisatin87-48-952 % similar 3-Bromo-9H-fluoren-9-one2041-19-248 % similar 2-Bromoanthraquinone572-83-848 % similar 4-Bromophthalimide6941-75-948 % similar 4-Bromophthalic acid6968-28-148 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,6-Dibromophenanthrene-9,10-quinone53348-05-3 2,6-Dibromoanthraquinone633-70-5

Elsewhere

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