6-Chloro-7-methylchromone

C10H7ClO2CAS 67029-84-9194.61 g/mol

Open in Covalent MOL file
ClOO
Aryl halide

Properties

Molecular formula
C10H7ClO2
Molar mass
194.61 g/mol
Exact mass
194.0135 Da
logP
2.75Crippen estimate
Polar surface area
30.2 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 5 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
67029-84-9
SMILES
CC1=CC2=C(C=C1Cl)C(=O)C=CO2
InChIKey
UQXYHMICNLSDMN-UHFFFAOYSA-N
InChI
InChI=1S/C10H7ClO2/c1-6-4-10-7(5-8(6)11)9(12)2-3-13-10/h2-5H,1H3

Weigh it out

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Work with 6-Chloro-7-methylchromone

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-Chlorochromone33533-99-253 % similar 6-Chloro-3-formyl-7-methylchromone64481-12-549 % similar 6-Bromochromone51483-92-245 % similar Chromone491-38-343 % similar 2,5-Dichloro-p-xylene1124-05-641 % similar 2,4,5-Trichlorotoluene6639-30-138 % similar Visnagin82-57-535 % similar Chloro-p-xylene95-72-735 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook