chempirical

9-Bromononanoic acid

C9H17BrO2CAS 41059-02-3237.14 g/mol

Open in Covalent MOL file
OHOBr
Alkyl halideCarboxylic acid

Properties

Molecular formula
C9H17BrO2
Molar mass
237.14 g/mol
Exact mass
236.0412 Da
Melting point
36–36.5 °C
Boiling point
160–161 °C (at 2 Torr)
logP
3.20Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
8

Identifiers

CAS number
41059-02-3
SMILES
O=C(O)CCCCCCCCBr
InChIKey
XEGRKZRPTBNSMN-UHFFFAOYSA-N
InChI
InChI=1S/C9H17BrO2/c10-8-6-4-2-1-3-5-7-9(11)12/h1-8H2,(H,11,12)

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Names and synonyms

1 names
  • Nonanoic acid, 9-bromo-

Work with 9-Bromononanoic 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 acid13099-35-9100 % similar 8-Bromooctanoic acid17696-11-6100 % similar 11-Bromoundecanoic acid2834-05-1100 % similar 7-Bromoheptanoic acid30515-28-7100 % similar 6-Bromohexanoic acid4224-70-8100 % similar 12-Bromododecanoic acid73367-80-3100 % similar 5-Bromopentanoic acid2067-33-695 % similar 4-Bromobutanoic acid2623-87-282 % similar

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

Same formula

Ethyl 7-bromoheptanoate29823-18-5 Methyl 2-bromooctanoate5445-22-7

Elsewhere

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