Basic information
- CAS
94160-36-8- Standard SMILES
Cc1cc(Cl)ccc1OCCCC(=O)OCC(C)C- InChIKey
YWYRKYNYHRGXSR-UHFFFAOYSA-N- Molecular formula
- C15H21ClO3
- Average molar mass
- 284.78 g/mol
- Monoisotopic mass
- 284.1179222
Names & identifiers
- Preferred name
- Isobutyl 4-(4-chloro-2-methylphenoxy)butyrate
- IUPAC
- 2-methylpropyl 4-(4-chloro-2-methylphenoxy)butanoate
- English name
- isobutyl 4-(4-chloro-2-methylphenoxy)butyrate
- Molecular formula
- C15H21ClO3
- Molecular weight
- 284.77844
Names & synonyms
Isobutyl 4-(4-chloro-2-methylphenoxy)butyrate94160-36-8EINECS 303-320-1YG950994R5UNII-YG950994R52-methylpropyl 4-(4-chloro-2-methylphenoxy)butanoateDTXSID90240897NS000402004-(4-Chloro-2-methylphenoxy)butyric acid, isobutyl esterBUTANOIC ACID, 4-(4-CHLORO-2-METHYLPHENOXY)-, 2-METHYLPROPYL ESTER4-(4-Chloro-2-methylphenoxy)butyric acid 2-methylpropyl ester
Database identifiers
- CAS
94160-36-8- PubChem CID
- 3023902
- DTXSID
DTXSID90240897- UNII
- YG950994R5
- EC Number
- 303-320-1
- Nikkaji
- J368.946H
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 268
Physicochemical properties
- FDA UNII
- 950994 R5 · YG950994R5
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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