6-Chloro-4-oxo-4H-1-benzopyran-3-carbonitrile

C10H4ClNO2CAS 50743-20-9205.60 g/mol

Open in Covalent MOL file
NOClO
Aryl halideNitrile

Properties

Molecular formula
C10H4ClNO2
Molar mass
205.60 g/mol
Exact mass
204.9931 Da
Melting point
211–213 °C
logP
2.32Crippen estimate
Polar surface area
54.0 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 43 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
50743-20-9
SMILES
N#Cc1coc2ccc(Cl)cc2c1=O
InChIKey
JHWOLPAENJJAJP-UHFFFAOYSA-N
InChI
InChI=1S/C10H4ClNO2/c11-7-1-2-9-8(3-7)10(13)6(4-12)5-14-9/h1-3,5H

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Names and synonyms

2 names
  • 4H-1-Benzopyran-3-carbonitrile, 6-chloro-4-oxo-
  • 6-Chloro-3-cyanochromone

Work with 6-Chloro-4-oxo-4H-1-benzopyran-3-carbonitrile

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

3-Cyano-6-methylchromone50743-18-566 % similar 6-Bromochromone-3-carbonitrile52817-13-766 % similar 4-Oxo-4H-chromene-3-carbonitrile50743-17-463 % similar 6-Isopropylchromone-3-carbonitrile50743-32-361 % similar 6,8-Dichloro-3-cyanochromone72798-32-460 % similar 6-Chloro-3-formylchromone42248-31-756 % similar 6-Chlorochromone33533-99-245 % similar 2,5-Dichlorobenzonitrile21663-61-643 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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