6-Chloro-3-hydroxy-1,2-benzisoxazole

C₇H₄ClNO₂CAS 61977-29-5169.56 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₄ClNO₂
Molar mass: 169.56 g/mol
Exact mass: 168.9931 Da
logP: 1.77Crippen estimate
Polar surface area: 46.0 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

61977-29-5

SMILES

C1=CC2=C(C=C1Cl)ONC2=O

InChIKey

SJAPSPJRTQCDNO-UHFFFAOYSA-N

InChI

InChI=1S/C7H4ClNO2/c8-4-1-2-5-6(3-4)11-9-7(5)10/h1-3H,(H,9,10)

Weigh it out

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

Names and synonyms

1 names

6-Chlorobenzo[D]isoxazol-3-ol

Work with 6-Chloro-3-hydroxy-1,2-benzisoxazole

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

4-Chloroisatoic anhydride40928-13-039 % similar 6-Chlorochromone33533-99-238 % similar 7-Chloro-4-hydroxyquinoline86-99-738 % similar 1-Bromo-7-chlorodibenzo[b,d]furan2173555-52-537 % similar Isoxazolo[5,4-B]pyridin-3-ol16880-54-936 % similar Pigment red 2023089-17-636 % similar 6-Chloro-4-hydroxycoumarin19484-57-236 % similar 2-Chloro-9H-carbazole10537-08-334 % similar

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

Same formula

6-Chloro-2,3-dihydrobenzoxazol-2-one19932-84-4 Chlorzoxazone95-25-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook