chempirical

2-Bromo-1,3,5-trimethoxybenzene

C9H11BrO3CAS 1131-40-4247.09 g/mol

Open in Covalent MOL file
OOBrO
Aryl halideEther

Properties

Molecular formula
C9H11BrO3
Molar mass
247.09 g/mol
Exact mass
245.9892 Da
Melting point
97–99 °C
logP
2.47Crippen estimate
Polar surface area
27.7 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Identifiers

CAS number
1131-40-4
SMILES
COc1cc(OC)c(Br)c(OC)c1
InChIKey
BPWYNWSOQOXOPI-UHFFFAOYSA-N
InChI
InChI=1S/C9H11BrO3/c1-11-6-4-7(12-2)9(10)8(5-6)13-3/h4-5H,1-3H3

Weigh it out

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Names and synonyms

6 names
  • Benzene, 2-bromo-1,3,5-trimethoxy-
  • Bromophloroglucinol trimethyl ether
  • 1-Bromo-2,4,6-trimethoxybenzene
  • NSC 151970
  • 4-Bromo-1,3,5-trimethoxybenzene
  • 2,4,6-Trimethoxy-1-bromobenzene

Work with 2-Bromo-1,3,5-trimethoxybenzene

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-Bromo-1,3-dimethoxybenzene16932-45-956 % similar 2-Bromo-1,3-difluoro-5-methoxybenzene202865-61-056 % similar 4-Bromo-3,5-dimethoxybenzaldehyde31558-40-455 % similar 2,4,6-Trimethoxyphenol20491-92-354 % similar 1-Bromo-2,4-dimethoxybenzene17715-69-454 % similar 1,3,5-Trimethoxybenzene621-23-852 % similar 1,3-Dibromo-5-methoxybenzene74137-36-352 % similar 1,2,4-Trimethoxybenzene135-77-350 % similar

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

Same formula

1-Bromo-3,4,5-trimethoxybenzene2675-79-8

Elsewhere

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