3-Methylbutyl (2,4,5-trichlorophenoxy)acetate
Completing data — refresh the page later to see the latest
Basic information
- CAS
23197-61-7- Standard SMILES
CC(C)CCOC(=O)COc1cc(Cl)c(Cl)cc1Cl- InChIKey
NFRJTLQGBCZKIU-UHFFFAOYSA-N- Molecular formula
- C13H15Cl3O3
- Average molar mass
- 325.6 g/mol
- Monoisotopic mass
- 324.008677
Names & identifiers
- Preferred name
- 3-Methylbutyl (2,4,5-trichlorophenoxy)acetate
- IUPAC
- 3-methylbutyl 2-(2,4,5-trichlorophenoxy)acetate
- English name
- 3-methylbutyl (2,4,5-trichlorophenoxy)acetate
- Molecular formula
- C13H15Cl3O3
- Molecular weight
- 325.6154
Names & synonyms
23197-61-73-Methylbutyl (2,4,5-trichlorophenoxy)acetateEINECS 245-483-0ZB9YB63GR8DTXSID90177775NFRJTLQGBCZKIU-UHFFFAOYSA-NNS00027375Acetic acid, 2-(2,4,5-trichlorophenoxy)-, 3-methylbutyl ester(2,4,5-Trichlorophenoxy)acetic acid 3-methylbutyl ester
Database identifiers
- CAS
23197-61-7- PubChem CID
- 90026
- DTXSID
DTXSID90177775- UNII
- ZB9YB63GR8
- EC Number
- 245-483-0
- Nikkaji
- J318.422F
Properties
Computed structural propertiesFilling in
- XLogP
- 5.3
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 286
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…