4-Bromo-3,5-dimethylisoxazole

C5H6BrNOCAS 10558-25-5176.01 g/mol

Open in Covalent MOL file
NOBr
Aryl halide

Properties

Molecular formula
C5H6BrNO
Molar mass
176.01 g/mol
Exact mass
174.9633 Da
logP
2.05Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from the 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
10558-25-5
SMILES
CC1=C(C(=NO1)C)Br
InChIKey
GYHZPSUAMYIFQD-UHFFFAOYSA-N
InChI
InChI=1S/C5H6BrNO/c1-3-5(6)4(2)8-7-3/h1-2H3

Weigh it out

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

Names and synonyms

1 names
  • 4-Bromo-3,5-dimethyl-1,2-oxazole

Work with 4-Bromo-3,5-dimethylisoxazole

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-Iodo-3,5-dimethylisoxazole10557-85-448 % similar 4-Amino-3,5-dimethylisoxazole31329-64-348 % similar 3,5-Dimethylisoxazole-4-boronic acid16114-47-943 % similar 3,5-Dimethyl-4-isoxazolemethanol19788-36-443 % similar 4-(Chloromethyl)-3,5-dimethylisoxazole19788-37-543 % similar 3,5-Dimethyl-4-isoxazolecarbaldehyde54593-26-943 % similar 3,5-Dimethyl-4-nitroisoxazole1123-49-539 % similar 3,5-Dimethyl-4-isoxazolecarboxylic acid2510-36-339 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-(Bromomethyl)-3-methylisoxazole36958-61-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook