Acetic acid, (2,3-dichloro-4-(3-thienylcarbonyl)phenoxy)-
Basic information
- CAS
55901-69-4- Standard SMILES
O=C(O)COc1ccc(C(=O)c2ccsc2)c(Cl)c1Cl- InChIKey
FCWMZGOTKKOFPK-UHFFFAOYSA-N- Molecular formula
- C13H8Cl2O4S
- Average molar mass
- 331.2 g/mol
- Monoisotopic mass
- 329.9520353
Names & identifiers
- Preferred name
- Acetic acid, (2,3-dichloro-4-(3-thienylcarbonyl)phenoxy)-
- IUPAC
- 2-[2,3-dichloro-4-(thiophene-3-carbonyl)phenoxy]acetic acid
- English name
- [2,3-Dichloro-4-[(3-thienyl)carbonyl]phenoxy]acetic acid
- Molecular formula
- C13H8Cl2O4S
- Molecular weight
- 331.17
Names & synonyms
ANP 431655901-69-4ACETIC ACID, (2,3-DICHLORO-4-(3-THIENYLCARBONYL)PHENOXY)-BRN 1292461(2,3-Dichloro-4-(4-thienylcarbonyl)phenoxy)acetic acidDTXSID302044935-18-02-00010 (Beilstein Handbook Reference)RefChem:316110DTXCID301269842-[2,3-dichloro-4-(thiophene-3-carbonyl)phenoxy]acetic acidQ63392772[2,3-Dichloro-4-(thiophene-3-carbonyl)phenoxy]acetic acid
Show more names
ANP-4316[2,3-Dichloro-4-(3-thienylcarbonyl)phenoxy]acetic acid[2,3-Dichloro-4-[(3-thienyl)carbonyl]phenoxy]acetic acidAcetic acid, 2-[2,3-dichloro-4-(3-thienylcarbonyl)phenoxy]-
Database identifiers
- CAS
55901-69-4- PubChem CID
- 41658
- DTXSID
DTXSID30204493- Nikkaji
- J86.161H
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 91.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 379
Physicochemical properties
- Boiling point
- 530.2 · 530.2±50.0 °C(Predicted)
- Density
- 1.532 · 1.532±0.06 g/cm3(Predicted)
- pka
- 2.8 · 2.80±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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