chempirical

5-Bromopentanoic acid

C5H9BrO2CAS 2067-33-6181.03 g/mol

Open in Covalent MOL file
OHOBr
Alkyl halideCarboxylic acid

Properties

Molecular formula
C5H9BrO2
Molar mass
181.03 g/mol
Exact mass
179.9786 Da
Melting point
38–40 °C
Boiling point
142–145 °C (at 15 Torr)
logP
1.64Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
4

Identifiers

CAS number
2067-33-6
SMILES
O=C(O)CCCCBr
InChIKey
WNXNUPJZWYOKMW-UHFFFAOYSA-N
InChI
InChI=1S/C5H9BrO2/c6-4-2-1-3-5(7)8/h1-4H2,(H,7,8)

Weigh it out

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

Names and synonyms

7 names
  • Pentanoic acid, 5-bromo-
  • Valeric acid, 5-bromo-
  • δ-Bromovaleric acid
  • 5-Bromovaleric acid
  • 1-Bromo-4-carboxybutane
  • NSC 53507
  • 5-Bromo-1-pentanoic acid

Work with 5-Bromopentanoic 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

17-Bromoheptadecanoic acid13099-35-995 % similar 8-Bromooctanoic acid17696-11-695 % similar 11-Bromoundecanoic acid2834-05-195 % similar 7-Bromoheptanoic acid30515-28-795 % similar 9-Bromononanoic acid41059-02-395 % similar 6-Bromohexanoic acid4224-70-895 % similar 12-Bromododecanoic acid73367-80-395 % similar 4-Bromobutanoic acid2623-87-286 % similar

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

Same formula

Methyl (R)-(+)-3-bromo-2-methylpropionate110556-33-7 2-(2-Bromoethyl)-1,3-dioxolane18742-02-4 Methyl 2-bromo-2-methylpropanoate23426-63-3 (2S)-2-Bromo-3-methylbutanoic acid26782-75-2 Isopropyl bromoacetate29921-57-1 Methyl 2-bromobutanoate3196-15-4 Methyl 4-bromobutyrate4897-84-1 Ethyl 2-bromopropionate535-11-5

Elsewhere

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