Basic information
- CAS
53466-86-7- Standard SMILES
CC(CO)OC(=O)COc1cc(Cl)c(Cl)cc1Cl.CCC(C)OC(=O)COc1cc(Cl)c(Cl)cc1Cl- InChIKey
BKTGXGFMTPRBBW-UHFFFAOYSA-N- Molecular formula
- C23H24Cl6O7
- Average molar mass
- 625.1 g/mol
- Monoisotopic mass
- 621.965319
Names & identifiers
- Preferred name
- 2,4,5-T propylene glycol isobutyl ether ester
- IUPAC
- butan-2-yl 2-(2,4,5-trichlorophenoxy)acetate;1-hydroxypropan-2-yl 2-(2,4,5-trichlorophenoxy)acetate
Names & synonyms
2,4,5-T propylene glycol isobutyl ether ester53466-86-7SCHEMBL31349866Acetic acid, (2,4,5-trichlorophenoxy)-, ester with 1(or 2)-(2-methylpropoxy)propanol
Database identifiers
- CAS
53466-86-7- PubChem CID
- 40780
Properties
Computed structural properties
- Topological polar surface area
- 91.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 12
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 552
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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