4-Bromo-6-chloro-2-cresol

C7H6BrClOCAS 7530-27-0221.48 g/mol

Open in Covalent MOL file
BrClHO
Aryl halidePhenol

Properties

Molecular formula
C7H6BrClO
Molar mass
221.48 g/mol
Exact mass
219.9291 Da
logP
3.12Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

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

Identifiers

CAS number
7530-27-0
SMILES
Cc1cc(Br)cc(Cl)c1O
InChIKey
IDDUDPYBPXKGCP-UHFFFAOYSA-N
InChI
InChI=1S/C7H6BrClO/c1-4-2-5(8)3-6(9)7(4)10/h2-3,10H,1H3

Weigh it out

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Names and synonyms

7 names
  • Phenol, 4-bromo-2-chloro-6-methyl-
  • o-Cresol, 4-bromo-6-chloro-
  • 4-Bromo-2-chloro-6-methylphenol
  • 2-Chloro-4-bromo-6-methylphenol
  • 4-Bromo-6-chloro-o-cresol
  • 4-Bromo-6-chloro-2-methylphenol
  • NSC 96968

Work with 4-Bromo-6-chloro-2-cresol

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

4-Bromo-2,6-dimethylphenol2374-05-269 % similar 4-Bromo-2,6-dichlorophenol3217-15-069 % similar 2,4-Dichloro-6-methylphenol1570-65-660 % similar 4-Bromo-2-chloro-6-fluorophenol161045-79-056 % similar 4-Bromo-2-chloro-6-methylbenzenamine30273-42-856 % similar 2-Chloro-6-methylphenol87-64-953 % similar 5-Bromo-2-chlorotoluene54932-72-852 % similar 4-Bromo-2-chlorotoluene89794-02-552 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(5-Bromo-2-chlorophenyl)methanol149965-40-2 5-Bromo-2-chloroanisole16817-43-9 1-Bromo-4-chloro-2-methoxybenzene174913-09-8 3-Bromo-4-chloroanisole2732-80-1 1-Bromo-2-chloro-4-methoxybenzene50638-46-5 2-Bromo-4-chloroanisole60633-25-2

Elsewhere

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