5-Bromo-benzooxazole

C₇H₄BrNOCAS 132244-31-6198.02 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₄BrNO
Molar mass: 198.02 g/mol
Exact mass: 196.9476 Da
logP: 2.59Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Identifiers

CAS number

132244-31-6

SMILES

C1=CC2=C(C=C1Br)N=CO2

InChIKey

PGOGTWDYLFKOHI-UHFFFAOYSA-N

InChI

InChI=1S/C7H4BrNO/c8-5-1-2-7-6(3-5)9-4-10-7/h1-4H

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Names and synonyms

1 names

5-Bromobenzoxazole

Work with 5-Bromo-benzooxazole

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

5-Methylbenzoxazole10531-78-955 % similar 5-Chlorobenzoxazole17200-29-255 % similar Benzoxazole273-53-048 % similar 5-Bromo-2-benzoxazolinone14733-73-446 % similar 2,8-Dibromodibenzofuran10016-52-143 % similar 7-Bromoquinoline4965-36-041 % similar 5-Bromobenzothiazole768-11-641 % similar 6-Bromobenzofuran128851-73-039 % similar

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

Same formula

3-Bromophenyl isocyanate23138-55-8 3-Bromo-4-hydroxybenzonitrile2315-86-8 4-Bromophenyl isocyanate2493-02-9 5-Bromo-2-hydroxybenzonitrile40530-18-5

Elsewhere

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