2-(3-Bromophenyl)benzoxazole

C₁₃H₈BrNOCAS 99586-31-9274.12 g/mol

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Properties

Molecular formula: C₁₃H₈BrNO
Molar mass: 274.12 g/mol
Exact mass: 272.9789 Da
Melting point: 136–138 °C
logP: 4.26Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

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

99586-31-9

SMILES

Brc1cccc(-c2nc3ccccc3o2)c1

InChIKey

KHEXVASQRAJENK-UHFFFAOYSA-N

InChI

InChI=1S/C13H8BrNO/c14-10-5-3-4-9(8-10)13-15-11-6-1-2-7-12(11)16-13/h1-8H

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Names and synonyms

5 names

Benzoxazole, 2-(3-bromophenyl)-
Benzoxazole, 2-(m-bromophenyl)-
2-(3-Bromophenyl)benzo[d]oxazole
2-(3-Bromophenyl)-1,3-benzoxazole
2-(3-Bromo-phenyl)-benzooxazole

Work with 2-(3-Bromophenyl)benzoxazole

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

2-Phenylbenzoxazole833-50-164 % similar 4,4'-Bis(2-benzoxazolyl)stilbene1533-45-551 % similar 2-(p-Aminophenyl)benzoxazole20934-81-051 % similar 4-(2-Benzoxazolyl)-N-phenylbenzenamine1643848-13-849 % similar 2-(3-Bromophenyl)-4,6-diphenyl-1,3,5-triazine864377-31-149 % similar (4-(Benzo[d]oxazol-2-yl)phenyl)boronic acid1065657-51-348 % similar 2-(3-Bromophenyl)benzo[D]thiazole19654-14-948 % similar 1,4-Bis(2-benzoxazolyl)naphthalene5089-22-547 % similar

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

Same formula

2-(4-Bromophenyl)benzoxazole3164-13-4

Elsewhere

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