Basic information
- CAS
13376-40-4- Standard SMILES
O=C(O)Cc1cc(Cl)c(C2CCCCC2)cc1Cl- InChIKey
NTYFWSQPZNEZFR-UHFFFAOYSA-N- Molecular formula
- C14H16Cl2O2
- Average molar mass
- 287.2 g/mol
- Monoisotopic mass
- 286.0527351
Names & identifiers
- Preferred name
- (2,5-Dichloro-4-cyclohexylphenyl)acetic acid
- IUPAC
- 2-(2,5-dichloro-4-cyclohexylphenyl)acetic acid
- English name
- 2,5-Dichloro-4-cyclohexylphenylacetic acid
- Molecular formula
- C14H16Cl2O2
- Molecular weight
- 287.18
Names & synonyms
TAI 278(2,5-Dichloro-4-cyclohexylphenyl)acetic acidBenzeneacetic acid, 2,5-dichloro-4-cyclohexyl-ACETIC ACID, (2,5-DICHLORO-4-CYCLOHEXYLPHENYL)-DTXSID50928260RefChem:205570DTXCID50135703113376-40-42-(2,5-dichloro-4-cyclohexylphenyl)acetic acid2,5-Dichloro-4-cyclohexylphenylacetic acidTAI-278
Database identifiers
- CAS
13376-40-4- PubChem CID
- 25932
- DTXSID
DTXSID50928260- Nikkaji
- J79.214D
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 290
Physicochemical properties
- Melting point
- 165 · 165-167 °C
- Boiling point
- 405.8 · 405.8±45.0 °C(Predicted)
- Density
- 1.293 · 1.293±0.06 g/cm3(Predicted)
- pka
- 3.96 · 3.96±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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