3-Bromo-2-(bromomethyl)propanoic acid

C₄H₆Br₂O₂CAS 41459-42-1245.90 g/mol

Open in Covalent MOL file

Alkyl halide Carboxylic acid

Properties

Molecular formula: C₄H₆Br₂O₂
Molar mass: 245.90 g/mol
Exact mass: 243.8735 Da
Melting point: 100–102 °C
logP: 1.48Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 3

Identifiers

CAS number

41459-42-1

SMILES

O=C(O)C(CBr)CBr

InChIKey

QQZJWQCLWOQDQV-UHFFFAOYSA-N

InChI

InChI=1S/C4H6Br2O2/c5-1-3(2-6)4(7)8/h3H,1-2H2,(H,7,8)

Weigh it out

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

Names and synonyms

5 names

Propanoic acid, 3-bromo-2-(bromomethyl)-
β,β′-Dibromoisobutyric acid
3-Bromo-2-(bromomethyl)propionic acid
2,2-Bis(bromomethyl)acetic acid
NSC 259720

Work with 3-Bromo-2-(bromomethyl)propanoic 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

2,3-Dibromopropionic acid600-05-558 % similar 1,4-Cyclohexanedicarboxylic acid1076-97-757 % similar 1,4-Cyclohexanedicarboxylic acid619-81-857 % similar trans-1,4-Cyclohexanedicarboxylic acid619-82-957 % similar Cyclopentanecarboxylic acid3400-45-152 % similar Cyclobutanecarboxylic acid3721-95-752 % similar 1,3-Cyclopentanedicarboxylic acid4056-78-452 % similar 3-Oxetanecarboxylic acid114012-41-850 % similar

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

Same formula

Methyl 2,3-dibromopropionate1729-67-5 (2E)-2,3-Dibromo-2-butene-1,4-diol21285-46-1 2,3-Dibromo-2-butene-1,4-diol3234-02-4 2,3-Dibromobutanoic acid600-30-6

Elsewhere

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