3,5-Dibromo-2-methoxybenzoic acid

C₈H₆Br₂O₃CAS 13130-23-9309.94 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Ether

Properties

Molecular formula: C₈H₆Br₂O₃
Molar mass: 309.94 g/mol
Exact mass: 307.8684 Da
logP: 2.92Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Identifiers

CAS number

13130-23-9

SMILES

COC1=C(C=C(C=C1Br)Br)C(=O)O

InChIKey

GDGFGZWIQSUSAX-UHFFFAOYSA-N

InChI

InChI=1S/C8H6Br2O3/c1-13-7-5(8(11)12)2-4(9)3-6(7)10/h2-3H,1H3,(H,11,12)

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 3,5-Dibromo-2-methoxybenzoic acid

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

3,5-Dibromosalicylic acid3147-55-562 % similar 2,4,6-Tribromoanisole607-99-858 % similar 5-Bromo-2-methoxybenzoic acid2476-35-957 % similar 2-Amino-3,5-dibromobenzoic acid609-85-856 % similar 5-Bromo-2-methoxy-3-pyridinecarboxylic acid54916-66-456 % similar 2-Bromo-5-methoxybenzoic acid22921-68-254 % similar 2,5-Dibromobenzoic acid610-71-953 % similar 2,4-Dibromobenzoic acid611-00-753 % similar

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

Same formula

2,4-Dibromophenoxyacetic acid10129-78-9 Methyl 3,5-dibromosalicylate21702-79-4 2,3-Dibromo-4-hydroxy-5-methoxybenzaldehyde2973-75-3 Methyl 3,5-dibromo-4-hydroxybenzoate41727-47-3

Elsewhere

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