7-(2-Chloro-6-fluorophenyl)-7-oxoheptanoic acid
Basic information
- CAS
951891-37-5- Standard SMILES
O=C(O)CCCCCC(=O)c1c(F)cccc1Cl- InChIKey
JOBXTKDTAXOXPX-UHFFFAOYSA-N- Molecular formula
- C13H14ClFO3
- Average molar mass
- 272.7 g/mol
- Monoisotopic mass
- 272.0615502
Names & identifiers
- Preferred name
- 7-(2-Chloro-6-fluorophenyl)-7-oxoheptanoic acid
- IUPAC
- 7-(2-chloro-6-fluorophenyl)-7-oxoheptanoic acid
Names & synonyms
7-(2-Chloro-6-fluorophenyl)-7-oxoheptanoic acid951891-37-5MFCD09801765DTXSID001257949AKOS016022658MS-210507-(2-Chloro-6-fluorophenyl)-7-oxoheptanoicacidF2074827-(2-chloro-6-fluoro-phenyl)-7-oxo-heptanoic acid2-Chloro-6-fluoro-I paragraph sign-oxobenzeneheptanoic acid
Database identifiers
- CAS
951891-37-5- PubChem CID
- 24727140
- DTXSID
DTXSID001257949
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 296
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…