3,5-Dibromo-2-methoxybenzoic acid

C8H6Br2O3CAS 13130-23-9309.94 g/mol

Open in Covalent MOL file
OBrBrOHO
Aryl halideCarboxylic acidEther

Properties

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

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
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

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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 2-Bromo-4,5-dimethoxybenzoic acid6286-46-056 % similar 5-Bromo-2-methoxy-3-pyridinecarboxylic acid54916-66-456 % similar 2-Bromo-5-methoxybenzoic acid22921-68-254 % similar 2,4,6-Tribromobenzoic acid633-12-553 % 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 3,5-Dibromo-4-methoxybenzoic acid4073-35-2 Methyl 3,5-dibromo-4-hydroxybenzoate41727-47-3

Elsewhere

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