3,4-Dibromobenzoic acid

C7H4Br2O2CAS 619-03-4279.91 g/mol

Open in Covalent MOL file
OHOBrBr
Aryl halideCarboxylic acid

Properties

Molecular formula
C7H4Br2O2
Molar mass
279.91 g/mol
Exact mass
277.8578 Da
logP
2.91Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

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, 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
619-03-4
SMILES
C1=CC(=C(C=C1C(=O)O)Br)Br
InChIKey
DHMPDNLGFIBQCK-UHFFFAOYSA-N
InChI
InChI=1S/C7H4Br2O2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H,10,11)

Weigh it out

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

Work with 3,4-Dibromobenzoic 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

Bromoterephthalic acid586-35-672 % similar 4-Bromo-1,3-benzenedicarboxylic acid6939-93-172 % similar 4-Bromo-3-hydroxybenzoic acid14348-38-070 % similar 3-Bromo-4-hydroxybenzoic acid14348-41-570 % similar 3-Bromo-4-fluorobenzoic acid1007-16-568 % similar 4-Bromo-3-fluorobenzoic acid153556-42-468 % similar 4-Bromo-3-chlorobenzoic acid25118-59-668 % similar 3-Amino-4-bromobenzoic acid2840-29-168 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,5-Dibromo-4-hydroxybenzaldehyde2973-77-5 2,6-Dibromobenzoic acid601-84-3 2,5-Dibromobenzoic acid610-71-9 2,4-Dibromobenzoic acid611-00-7 3,5-Dibromobenzoic acid618-58-6 3,5-Dibromosalicylaldehyde90-59-5

Elsewhere

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