Basic information
- CAS
64046-44-2- Standard SMILES
O=C(O)COc1ccc(C(=O)c2ccc(Cl)o2)c(Cl)c1Cl- InChIKey
DEFHRKSFURUDIU-UHFFFAOYSA-N- Molecular formula
- C13H7Cl3O5
- Average molar mass
- 349.5 g/mol
- Monoisotopic mass
- 347.935906
Names & identifiers
- Preferred name
- Acetic acid, (4-((5-chloro-2-furyl)carbonyl)-2,3-dichloro)phenoxy-
- IUPAC
- 2-[2,3-dichloro-4-(5-chlorofuran-2-carbonyl)phenoxy]acetic acid
- English name
- [4-[(5-Chlorofuran-2-yl)carbonyl]-2,3-dichlorophenoxy]acetic acid
- Molecular formula
- C13H7Cl3O5
- Molecular weight
- 349.55
Names & synonyms
ANP 435764046-44-2ACETIC ACID, (4-((5-CHLORO-2-FURYL)CARBONYL)-2,3-DICHLORO)PHENOXY-(4-((5-Chloro-2-furyl)carbonyl)-2,3-dichloro)phenoxyacetic acidDTXSID00214089RefChem:316222DTXCID501365802-[2,3-dichloro-4-(5-chlorofuran-2-carbonyl)phenoxy]acetic acidDB-300275[2,3-Dichloro-4-(5-chlorofuran-2-carbonyl)phenoxy]acetic acid[4-[(5-Chlorofuran-2-yl)carbonyl ]-2,3-dichlorophenoxy]acetic acidANP-4357
Show more names
[4-[(5-Chlorofuran-2-yl)carbonyl]-2,3-dichlorophenoxy]acetic acidAcetic acid, 2-[2,3-dichloro-4-[(3-chloro-2-furanyl)carbonyl]phenoxy]-
Database identifiers
- CAS
64046-44-2- PubChem CID
- 46629
- DTXSID
DTXSID00214089- Nikkaji
- J85.217A
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 405
Physicochemical properties
- Boiling point
- 540.948 · 540.948±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.579 · 1.579±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 2.766 · 2.766±0.10(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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