6-Bromo-3,4-dihydro-2H-benzo[1,4]oxazine

C₈H₈BrNOCAS 105655-01-4214.06 g/mol

Open in Covalent MOL file

Aryl halide Ether Secondary 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 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

105655-01-4

SMILES

Brc1ccc2c(c1)NCCO2

InChIKey

RWKBNMSHIJBNAO-UHFFFAOYSA-N

InChI

InChI=1S/C8H8BrNO/c9-6-1-2-8-7(5-6)10-3-4-11-8/h1-2,5,10H,3-4H2

Weigh it out

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

Names and synonyms

3 names

6-Bromo-3,4-dihydro-2H-benzo[b][1,4]oxazine
2H-1,4-Benzoxazine, 6-bromo-3,4-dihydro-
6-Bromo-3,4-dihydro-2H-1,4-benzoxazine

Work with 6-Bromo-3,4-dihydro-2H-benzo[1,4]oxazine

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

Hydroxybenzomorpholine26021-57-866 % similar Benzomorpholine5735-53-555 % similar 6-Bromo-1,4-benzodioxane52287-51-153 % similar 6-Bromo-2H-1,4-benzoxazin-3(4H)-one24036-52-051 % similar 7-Bromo-1,2,3,4-tetrahydroquinoline114744-51-350 % similar 7-Bromo-3,4-dihydro-2H-pyrido[3,2-B][1,4]oxazine34950-82-849 % similar 5-Bromo-2,3-dihydro-1-benzofuran66826-78-648 % similar 5-Bromoindoline22190-33-647 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4′-Bromoacetanilide103-88-8 7-Bromo-3,4-dihydro-2H-1,4-benzoxazine105679-22-9 4-Bromo-3-methylbenzamide170229-98-8 N-(2-Bromophenyl)acetamide614-76-6

Elsewhere

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