3-Chloro-1,2-benzoxazole

C₇H₄ClNOCAS 16263-52-8153.56 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₄ClNO
Molar mass: 153.56 g/mol
Exact mass: 152.9981 Da
logP: 2.48Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 3 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

16263-52-8

SMILES

C1=CC=C2C(=C1)C(=NO2)Cl

InChIKey

INWUFXPCLZRSBH-UHFFFAOYSA-N

InChI

InChI=1S/C7H4ClNO/c8-7-5-3-1-2-4-6(5)10-9-7/h1-4H

Weigh it out

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

Names and synonyms

1 names

3-Chloro-1,2-benzisoxazole

Work with 3-Chloro-1,2-benzoxazole

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

1,2-Benzisoxazol-3(2H)-one21725-69-952 % similar 3-Amino-1,2-benzisoxazole36216-80-552 % similar 3-Bromomethylbenzisoxazole37924-85-948 % similar 1,4-Dichlorophthalazine4752-10-746 % similar 6-Chloro-8-oxa-3,5-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),3,5,10,12-hexaene39876-88-542 % similar 1,2-Benzisoxazole-3-acetic acid4865-84-339 % similar Zonisamide68291-97-439 % similar Dibenzofuran132-64-938 % similar

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

Same formula

4-Chlorophenyl isocyanate104-12-1 5-Chloro-2-hydroxybenzonitrile13589-72-5 5-Chlorobenzoxazole17200-29-2 3-Chloro-4-hydroxybenzonitrile2315-81-3 3-Chlorophenyl isocyanate2909-38-8 4-Chlorofuro[3,2-C]pyridine31270-80-1 2-Chlorophenyl isocyanate3320-83-0 2-Chloro-4-hydroxybenzonitrile3336-16-1

Elsewhere

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