5-Fluoroisatonic anhydride

C₈H₄FNO₃CAS 321-69-7181.12 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₈H₄FNO₃
Molar mass: 181.12 g/mol
Exact mass: 181.0175 Da
logP: 0.62Crippen estimate
Polar surface area: 63.1 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed66.7% of notifiers
H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

321-69-7

SMILES

C1=CC2=C(C=C1F)C(=O)OC(=O)N2

InChIKey

UBKGOWGNYKVYEF-UHFFFAOYSA-N

InChI

InChI=1S/C8H4FNO3/c9-4-1-2-6-5(3-4)7(11)13-8(12)10-6/h1-3H,(H,10,12)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

5-Fluoroisatoic anhydride

Work with 5-Fluoroisatonic anhydride

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

5-Aminoisatoic anhydride169037-24-562 % similar 5-Hydroxy isatoic anhydride195986-91-562 % similar 5-Bromoisatoic anhydride4692-98-262 % similar 4-Chloroisatoic anhydride40928-13-050 % similar 6,7-Dimethoxy-2H-3,1-benzoxazine-2,4(1H)-dione20197-92-649 % similar 6-Fluoro-4-hydroxy-2-(trifluoromethyl)quinoline31009-34-448 % similar 6-Fluoro-4-(trifluoromethyl)-2(1H)-quinolinone328956-08-748 % similar 6-Fluoro-2-methyl-4-quinolinol15912-68-246 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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