6,8-Dibromo-2-oxo-2h-chromene-3-carboxylic acid

C₁₀H₄Br₂O₄CAS 3855-87-6347.95 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₁₀H₄Br₂O₄
Molar mass: 347.95 g/mol
Exact mass: 345.8476 Da
logP: 3.02Crippen estimate
Polar surface area: 67.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

3855-87-6

SMILES

C1=C2C=C(C(=O)OC2=C(C=C1Br)Br)C(=O)O

InChIKey

KJFIZDKBEUTEPR-UHFFFAOYSA-N

InChI

InChI=1S/C10H4Br2O4/c11-5-1-4-2-6(9(13)14)10(15)16-8(4)7(12)3-5/h1-3H,(H,13,14)

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Names and synonyms

1 names

6,8-Dibromocoumarin-3-carboxylic acid

Work with 6,8-Dibromo-2-oxo-2h-chromene-3-carboxylic acid

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

6-Bromo-2-oxo-2H-chromene-3-carboxylic acid2199-87-361 % similar Coumarin-3-carboxylic acid531-81-749 % similar 3,5-Dibromosalicylic acid3147-55-549 % similar 2-Amino-3,5-dibromobenzoic acid609-85-848 % similar 2,4-Dibromobenzoic acid611-00-748 % similar 2,4,6-Tribromobenzoic acid633-12-548 % similar 7-Hydroxycoumarin-3-carboxylic acid779-27-146 % similar Coumarin 34355804-65-445 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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