3-Amino-6-bromo-1,2-benzisoxazole

C₇H₅BrN₂OCAS 177995-39-0213.03 g/mol

Open in Covalent MOL file

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

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)

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

Names and synonyms

3 names

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

Work with 3-Amino-6-bromo-1,2-benzisoxazole

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

6-Bromo-4-quinazolinamine21419-48-740 % similar 3-Bromonaphtho[2,3-b]benzofuran1256544-32-738 % similar 6-Bromobenzofuran128851-73-036 % similar 6-Bromo-3-iodo-1H-indazole885521-88-035 % similar 2-Amino-5-bromopyridine1072-97-534 % similar 2-Bromocarbazole3652-90-234 % similar 2-Bromodibenzofuran86-76-034 % similar 2-Amino-6-bromobenzothiazole15864-32-133 % 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

Elsewhere

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