Acetic acid, (2,4,5-trichlorophenoxy)-, 1-methylpropyl ester
Basic information
- CAS
61792-07-2- Standard SMILES
CCC(C)OC(=O)COc1cc(Cl)c(Cl)cc1Cl- InChIKey
KOCPUBZALOBLTB-UHFFFAOYSA-N- Molecular formula
- C12H13Cl3O3
- Average molar mass
- 311.6 g/mol
- Monoisotopic mass
- 309.993027
Names & identifiers
- Preferred name
- Acetic acid, (2,4,5-trichlorophenoxy)-, 1-methylpropyl ester
- IUPAC
- butan-2-yl 2-(2,4,5-trichlorophenoxy)acetate
- English name
- 2-(2,4,5-Trichlorophenoxy)-1-methylpropyl acetate
- Molecular formula
- C12H13Cl3O3
- Molecular weight
- 0
Names & synonyms
61792-07-2butan-2-yl 2-(2,4,5-trichlorophenoxy)acetateAcetic acid, (2,4,5-trichlorophenoxy)-, 1-methylpropyl ester2,4,5-T sec-butyl ester2,4,5-T-2-Butyl EsterNIOSH/AJ8490000DTXSID90866339DB-307690AJ84900000Butan-2-yl (2,4,5-trichlorophenoxy)acetate2,4,5-Trichlorophenoxyacetic acid 2-butyl ester2-Butylester kyseliny 2,4,5-trichlorfenoxyoctove
Show more names
(2,4,5-Trichlorophenoxy)acetic acid, sec-butyl ester2-(2,4,5-Trichlorophenoxy)acetic acid sec-butyl ester2-Butylester kyseliny 2,4,5-trichlorfenoxyoctove [Czech]Acetic acid, 2-(2,4,5-trichlorophenoxy)-, sec-butyl ester
Database identifiers
- CAS
61792-07-2- PubChem CID
- 40781
- DTXSID
DTXSID90866339- Nikkaji
- J998.902A
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 275
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Related reactions
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Compound notes
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