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

Hazards

Warning

H302 Harmful if swallowed97.6% of notifiers
H319 Causes serious eye irritation100% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, P501

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

Weigh it out

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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 6-Bromoquinoxaline50998-17-947 % similar 5-Bromo-2-benzoxazolinone14733-73-446 % similar 5-Bromo-2,1,3-benzoxadiazole51376-06-845 % similar 5-Bromo-1-benzofuran23145-07-544 % similar 2,8-Dibromodibenzofuran10016-52-143 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Bromophenyl isocyanate1592-00-3 3-Bromophenyl isocyanate23138-55-8 3-Bromo-4-hydroxybenzonitrile2315-86-8 4-Bromophenyl isocyanate2493-02-9 4-Bromo-2-hydroxybenzonitrile288067-35-6 5-Bromo-2-hydroxybenzonitrile40530-18-5

Elsewhere

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