chempirical

4-Bromobutanoic acid

C4H7BrO2CAS 2623-87-2167.00 g/mol

Open in Covalent MOL file
OHOBr
Alkyl halideCarboxylic acid

Properties

Molecular formula
C4H7BrO2
Molar mass
167.00 g/mol
Exact mass
165.9629 Da
Melting point
42–42.5 °C
Boiling point
163–165 °C (at 2 Torr)
logP
1.25Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
3

Identifiers

CAS number
2623-87-2
SMILES
O=C(O)CCCBr
InChIKey
GRHQDJDRGZFIPO-UHFFFAOYSA-N
InChI
InChI=1S/C4H7BrO2/c5-3-1-2-4(6)7/h1-3H2,(H,6,7)

Weigh it out

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

Names and synonyms

6 names
  • Butanoic acid, 4-bromo-
  • Butyric acid, 4-bromo-
  • 4-Bromobutyric acid
  • γ-Bromobutyric acid
  • Carboxypropyl bromide
  • NSC 99322

Work with 4-Bromobutanoic 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

5-Bromopentanoic acid2067-33-686 % similar 17-Bromoheptadecanoic acid13099-35-982 % similar 8-Bromooctanoic acid17696-11-682 % similar 11-Bromoundecanoic acid2834-05-182 % similar 7-Bromoheptanoic acid30515-28-782 % similar 9-Bromononanoic acid41059-02-382 % similar 6-Bromohexanoic acid4224-70-882 % similar 12-Bromododecanoic acid73367-80-382 % similar

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

Same formula

Ethyl bromoacetate105-36-2 Bromoisobutyric acid2052-01-9 Methyl 3-bromopropanoate3395-91-3 1-Bromoethyl acetate40258-78-4 2-(Bromomethyl)-1,3-dioxolane4360-63-8 Methyl 2-bromopropanoate5445-17-0 2-Bromobutyric acid80-58-0 2-Bromoethyl acetate927-68-4

Elsewhere

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