6-Chloro-2H-chromene-3-carboxylic acid

C₁₀H₇ClO₃CAS 83823-06-7210.61 g/mol

Open in Covalent MOL file

Alkene Aryl halide Carboxylic acid Ether

Properties

Molecular formula: C₁₀H₇ClO₃
Molar mass: 210.61 g/mol
Exact mass: 210.0084 Da
logP: 2.20Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed16.7% of notifiers
H312 Harmful in contact with skin16.7% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled16.7% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 6 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

83823-06-7

SMILES

C1C(=CC2=C(O1)C=CC(=C2)Cl)C(=O)O

InChIKey

ZRCGKWSNRRTAJY-UHFFFAOYSA-N

InChI

InChI=1S/C10H7ClO3/c11-8-1-2-9-6(4-8)3-7(5-14-9)10(12)13/h1-4H,5H2,(H,12,13)

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Names and synonyms

1 names

6-Chloro-2H-1-benzopyran-3-carboxylic acid

Work with 6-Chloro-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

2H-Chromene-3-carboxylic acid22649-28-163 % similar 2,4-Dichlorophenoxyacetic acid94-75-748 % similar MCPA94-74-646 % similar 5-Chloro-benzofuran-3-one3261-05-045 % similar 6-Chloro-2H-1,4-benzoxazin-3(4H)-one7652-29-143 % similar Aminol2008-39-142 % similar 6-Chloro-benzofuran-3-one3260-78-442 % similar 2,4-Dichlorophenoxyacetic acid hydrazide28236-62-642 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Chlorferon6174-86-3 (2E)-4-(4-Chlorophenyl)-4-oxo-2-butenoic acid6269-33-6

Elsewhere

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