5-Amino-2,4-dichlorophenoxyacetic acid
Basic information
- CAS
5397-71-7- Standard SMILES
Nc1cc(OCC(=O)O)c(Cl)cc1Cl- InChIKey
VMNPETQUBQUXAP-UHFFFAOYSA-N- Molecular formula
- C8H7Cl2NO3
- Average molar mass
- 236.05 g/mol
- Monoisotopic mass
- 234.9802985
Names & identifiers
- Preferred name
- 5-Amino-2,4-dichlorophenoxyacetic acid
- IUPAC
- 2-(5-amino-2,4-dichlorophenoxy)acetic acid
- English name
- 5-amino-2,4-dichlorophenoxyacetic acid
- Molecular formula
- C8H7Cl2NO3
- Molecular weight
- 236.05
Names & synonyms
5397-71-72-(5-amino-2,4-dichlorophenoxy)acetic acid5-Amino-2,4-dichlorophenoxyacetic acidNSC4250EINECS 226-423-2DTXSID60202265VMNPETQUBQUXAP-UHFFFAOYSA-NNSC 4250NSC-42502,4-dichloro-5-aminophenoxyacetic acid(5-Amino-2,4-dichlorophenoxy)acetic acidNS00032902
Show more names
Acetic acid, 2-(5-amino-2,4-dichlorophenoxy)-
Database identifiers
- CAS
5397-71-7- PubChem CID
- 79383
- DTXSID
DTXSID60202265- EC Number
- 226-423-2
- Nikkaji
- J217.953I
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 215
Physicochemical properties
- Melting point
- 173.5 · 173.5-174.5 °C
- Boiling point
- 413.8 · 413.8±40.0 °C(Predicted)
- Density
- 1.565 · 1.565±0.06 g/cm3(Predicted)
- pka
- 3 · 3.00±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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