chempirical

2-Amino-3-bromo-5-fluorobenzoic acid

C7H5BrFNO2CAS 259269-84-6234.02 g/mol

Open in Covalent MOL file
OHOH2NBrF
Aryl halideCarboxylic acidPrimary amine

Properties

Molecular formula
C7H5BrFNO2
Molar mass
234.02 g/mol
Exact mass
232.9488 Da
logP
1.87Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
259269-84-6
SMILES
C1=C(C=C(C(=C1C(=O)O)N)Br)F
InChIKey
LTOCPZGBNWZMBA-UHFFFAOYSA-N
InChI
InChI=1S/C7H5BrFNO2/c8-5-2-3(9)1-4(6(5)10)7(11)12/h1-2H,10H2,(H,11,12)

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Work with 2-Amino-3-bromo-5-fluorobenzoic 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

2-Amino-3,5-difluorobenzoic acid126674-78-067 % similar 2-Amino-3,5-dibromobenzoic acid609-85-867 % similar 2-Amino-3-bromo-5-methylbenzoic acid13091-43-563 % similar 2-Bromo-4-fluorobenzoic acid1006-41-359 % similar 2-Bromo-5-fluorobenzoic acid394-28-559 % similar 2-Amino-3-bromobenzoic acid20776-51-657 % similar 2,6-Dibromo-4-fluoroaniline344-18-356 % similar 4-Amino-3,5-dibromobenzoic acid4123-72-256 % similar

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

Same formula

Methyl 5-bromo-3-fluoropyridine-2-carboxylate1211538-72-5 3-Fluoro-4-nitrobenzyl bromide131858-37-2 2-Amino-4-bromo-3-fluorobenzoic acid1416013-62-1 4-Fluoro-3-nitrobenzyl bromide15017-52-4 2-(Bromomethyl)-1-fluoro-3-nitrobenzene1958-93-6 4-Bromo-5-fluoro-2-nitrotoluene224185-19-7 1-Bromo-5-fluoro-2-methyl-3-nitrobenzene502496-33-5 4-Bromo-2-fluoro-6-nitrotoluene502496-34-6

Elsewhere

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