chempirical

2-(4-Bromophenyl)benzoxazole

C13H8BrNOCAS 3164-13-4274.12 g/mol

Open in Covalent MOL file
BrNO
Aryl halide

Properties

Molecular formula
C13H8BrNO
Molar mass
274.12 g/mol
Exact mass
272.9789 Da
Melting point
158–159 °C
logP
4.26Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
3164-13-4
SMILES
Brc1ccc(-c2nc3ccccc3o2)cc1
InChIKey
RBVHJNZMSBQFDK-UHFFFAOYSA-N
InChI
InChI=1S/C13H8BrNO/c14-10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)16-13/h1-8H

Weigh it out

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Names and synonyms

6 names
  • Benzoxazole, 2-(4-bromophenyl)-
  • Benzoxazole, 2-(p-bromophenyl)-
  • 2-(p-Bromophenyl)benzoxazole
  • 2-(4-Bromophenyl)-1,3-benzoxazole
  • 2-(4-Bromophenyl)benzo[d]oxazole
  • 2-(4-Bromophenyl)benzo(d)oxazole

Work with 2-(4-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-Phenylbenzoxazole833-50-170 % similar 4,4'-Bis(2-benzoxazolyl)stilbene1533-45-565 % similar 2-(p-Aminophenyl)benzoxazole20934-81-065 % similar 4-(2-Benzoxazolyl)-N-phenylbenzenamine1643848-13-861 % similar (4-(Benzo[d]oxazol-2-yl)phenyl)boronic acid1065657-51-359 % similar 1,4-Bis(2-benzoxazolyl)naphthalene5089-22-551 % similar 2-[4-[2-[4-(2-Benzoxazolyl)phenyl]ethenyl]phenyl]-5-methylbenzoxazole5242-49-950 % similar 2-(2-Hydroxyphenyl)benzoxazole835-64-347 % similar

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

Same formula

2-(3-Bromophenyl)benzoxazole99586-31-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook