7-Bromoheptanoic acid
Properties
- Molecular formula
- C7H13BrO2
- Molar mass
- 209.08 g/mol
- Exact mass
- 208.0099 Da
- Melting point
- 31 °C
- Boiling point
- 280 °C
- logP
- 2.42Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 6
Hazards
Danger
- H290 May be corrosive to metals22.2% of notifiers
- H314 Causes severe skin burns and eye damage100% of notifiers
- H318 Causes serious eye damage44.4% of notifiers
Aggregated from 9 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P234, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P390, P405, P406, P501
Identifiers
CAS number
30515-28-7SMILES
O=C(O)CCCCCCBrInChIKey
JLPQXFFMVVPIRW-UHFFFAOYSA-NInChI
InChI=1S/C7H13BrO2/c8-6-4-2-1-3-5-7(9)10/h1-6H2,(H,9,10)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
3 names
- Heptanoic acid, 7-bromo-
- Enanthic acid, ζ-bromo-
- ω-Bromoheptanoic acid
Work with 7-Bromoheptanoic 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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
17-Bromoheptadecanoic acid13099-35-9100 % similar
8-Bromooctanoic acid17696-11-6100 % similar
16-Bromohexadecanoic acid2536-35-8100 % similar
11-Bromoundecanoic acid2834-05-1100 % similar
9-Bromononanoic acid41059-02-3100 % similar
6-Bromohexanoic acid4224-70-8100 % similar
10-Bromodecanoic acid50530-12-6100 % similar
12-Bromododecanoic acid73367-80-3100 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds
Same formula
Methyl 6-bromohexanoate14273-90-6
Ethyl 5-bromovalerate14660-52-7
5-Bromopentyl acetate15848-22-3
2-(2-Bromoethoxy)tetrahydro-2H-pyran17739-45-6
1,1-Dimethylethyl 2-bromopropanoate39149-80-9
Methyl 2-bromohexanoate4554-19-2
1-Methylethyl 2-bromo-2-methylpropanoate51368-55-9
Methyl 2-bromohexanoate5445-19-2