6-Bromo-1,2-benzoxazol-3-amine

C₇H₅BrN₂OCAS 177995-39-0213.03 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₇H₅BrN₂O
Molar mass: 213.03 g/mol
Exact mass: 211.9585 Da
logP: 2.00Crippen estimate
Polar surface area: 52.8 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

177995-39-0

SMILES

N=c1[nH]oc2cc(Br)ccc12

InChIKey

CNLHHYURQCSYLB-UHFFFAOYSA-N

InChI

InChI=1S/C7H5BrN2O/c8-4-1-2-5-6(3-4)11-10-7(5)9/h1-3H,(H2,9,10)

Weigh it out

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

Names and synonyms

4 names

3-Amino-6-bromo-1,2-benzisoxazole
1,2-Benzisoxazol-3-amine, 6-bromo-
6-Bromo-1,2-benzisoxazol-3-amine
6-Bromobenzo[d]isoxazol-3-amine

Work with 6-Bromo-1,2-benzoxazol-3-amine

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-Bromodibenzofuran26608-06-042 % similar 6-Bromo-4-quinazolinamine21419-48-740 % similar 2,8-Dibromodibenzofuran10016-52-139 % similar 2,7-Dibromo-9H-carbazole136630-39-239 % similar 3-Bromonaphtho[2,3-b]benzofuran1256544-32-738 % similar 2,7-Dibromophenanthrene62325-30-838 % similar 2-Bromobenzo[9,10]phenanthrene19111-87-636 % similar 2,7-Dibromotriphenylene888041-37-036 % similar

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

Same formula

6-Bromo-4-aza-2-oxindole1190319-62-0 3-Bromo-5H-pyrrolo[3,4-b]pyridin-7(6H)-one1346809-61-7 5-Bromo-1H,2H,3H-pyrrolo(2,3-b)pyridin-2-one183208-34-6 5-(Bromomethyl)-2,1,3-benzoxadiazole32863-31-3 5-Bromo-1,3-dihydro-2H-benzimidazol-2-one39513-26-3 6-Bromo-1H-indazol-3-ol885521-92-6

Elsewhere

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