7-Bromo-3,4-dihydro-2H-1,4-benzoxazine

C8H8BrNOCAS 105679-22-9214.06 g/mol

Open in Covalent MOL file
OHNBr
Aryl halideEtherSecondary amine

Properties

Molecular formula
C8H8BrNO
Molar mass
214.06 g/mol
Exact mass
212.9789 Da
logP
2.25Crippen estimate
Polar surface area
21.3 Ų
H-bond donors / acceptors
1 / 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
105679-22-9
SMILES
C1COC2=C(N1)C=CC(=C2)Br
InChIKey
JLZUUGCTPRPFKZ-UHFFFAOYSA-N
InChI
InChI=1S/C8H8BrNO/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-2,5,10H,3-4H2

Weigh it out

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Names and synonyms

1 names
  • 7-Bromo-3,4-dihydro-2H-benzo[1,4]oxazine

Work with 7-Bromo-3,4-dihydro-2H-1,4-benzoxazine

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

Benzomorpholine5735-53-555 % similar 6-Bromo-1,4-benzodioxane52287-51-153 % similar 7-Bromo-3,4-dihydro-2H-pyrido[3,2-B][1,4]oxazine34950-82-853 % similar 5-Bromoindoline22190-33-652 % similar Hydroxybenzomorpholine26021-57-851 % similar 6-Bromo-1,2,3,4-tetrahydroquinoline22190-35-850 % similar 5-Bromo-1,3-benzodioxole2635-13-447 % similar 7-Bromo-1,2,3,4-tetrahydroquinoline114744-51-346 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4′-Bromoacetanilide103-88-8 6-Bromo-3,4-dihydro-2H-benzo[1,4]oxazine105655-01-4 4-Bromo-3-methylbenzamide170229-98-8 N-(2-Bromophenyl)acetamide614-76-6

Elsewhere

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