Acetic acid, 6,7-dichloro-2-ethyl-1-oxo-5-indanyloxy-
Completing data — refresh the page later to see the latest
Basic information
- CAS
27366-21-8- Standard SMILES
CCC1Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2C1=O- InChIKey
SZOLGWAHEZEMMN-UHFFFAOYSA-N- Molecular formula
- C13H12Cl2O4
- Average molar mass
- 303.13 g/mol
- Monoisotopic mass
- 302.0112642
Names & identifiers
- Preferred name
- Acetic acid, 6,7-dichloro-2-ethyl-1-oxo-5-indanyloxy-
- IUPAC
- 2-[(6,7-dichloro-2-ethyl-1-oxo-2,3-dihydroinden-5-yl)oxy]acetic acid
- English name
- [(6,7-Dichloro-2-ethyl-2,3-dihydro-1-oxo-1H-inden-5-yl)oxy]acetic acid
- Molecular formula
- C13H12Cl2O4
- Molecular weight
- 303.14
Names & synonyms
BRN 18875086,7-Dichloro-2-ethyl-1-oxo-5-indanyloxyacetic acid27366-21-8ACETIC ACID, 6,7-DICHLORO-2-ETHYL-1-OXO-5-INDANYLOXY-RefChem:316540CHEMBL3278173SCHEMBL11112682DTXSID90950065SZOLGWAHEZEMMN-UHFFFAOYSA-N(1-oxo-2-ethyl-6,7-dichloro-5-indanyloxy)-acetic acid(1-oxo-2-ethyl-6,7-dichloro-5-indanyloxy)acetic acid[(6,7-Dichloro-2-ethyl-1-oxo-2,3-dihydro-1H-inden-5-yl)oxy]acetic acid
Show more names
[(6,7-Dichloro-2-ethyl-2,3-dihydro-1-oxo-1H-inden-5-yl)oxy]acetic acidAcetic acid, 2-[(6,7-dichloro-2-ethyl-2,3-dihydro-1-oxo-1H-inden-5-yl)oxy]-
Database identifiers
- CAS
27366-21-8- PubChem CID
- 33794
- DTXSID
DTXSID90950065- ChEMBL
CHEMBL3278173- Nikkaji
- J54.197D
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 374
Physicochemical properties
- Melting point
- 169 · 169-171 °C(Solv: acetonitrile (75-05-8))
- Boiling point
- 505.3 · 505.3±50.0 °C(Predicted)
- Density
- 1.432 · 1.432±0.06 g/cm3(Predicted)
- pka
- 2.8 · 2.80±0.10(Predicted)
Related reactions
11 records
Compound notes
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