5-Chloro-3-phenyl-2,1-benzisoxazole

C13H8ClNOCAS 719-64-2229.66 g/mol

Open in Covalent MOL file
ClNO
Aryl halide

Properties

Molecular formula
C13H8ClNO
Molar mass
229.66 g/mol
Exact mass
229.0294 Da
Melting point
115–117 °C
logP
4.15Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P501

Identifiers

CAS number
719-64-2
SMILES
Clc1ccc2noc(-c3ccccc3)c2c1
InChIKey
MUHJZJKVEQASGY-UHFFFAOYSA-N
InChI
InChI=1S/C13H8ClNO/c14-10-6-7-12-11(8-10)13(16-15-12)9-4-2-1-3-5-9/h1-8H

Weigh it out

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

Names and synonyms

8 names
  • 2,1-Benzisoxazole, 5-chloro-3-phenyl-
  • 3-Phenyl-5-chloro-2,1-benzisoxazole
  • 5-Chloro-3-phenylanthranil
  • 3-Phenyl-5-chloroanthranil
  • 5-Chloro-3-phenylbenz[c]isoxazole
  • 5-Chloro-3-phenyl-2,1-benzisoxazoles
  • NSC 405896
  • 5-Chloro-3-phenylbenzo[c]isoxazole

Work with 5-Chloro-3-phenyl-2,1-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

3-Phenyl-2,1-benzisoxazole-5-carbaldehyde94752-06-457 % similar 3-(4-Chlorophenyl)-2,1-benzisoxazole-5-carbaldehyde328272-55-557 % similar 3-Chlorobiphenyl2051-61-841 % similar 3-(4-Methylphenyl)-2,1-benzisoxazole-5-carbaldehyde328547-38-240 % similar 4-Chloro-2-phenylpyridine57311-18-939 % similar 4-Chlorobiphenyl2051-62-939 % similar 2-(8-Chlorodibenzo[b,d]furan-1-yl)-4,6-diphenyl-1,3,5-triazine2173554-85-139 % similar 2-(3'-Chlorobiphenyl-3-yl)-4,6-diphenyl-1,3,5-triazine1443049-83-938 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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