Propyl (4-chloro-2-methylphenoxy)acetate
Basic information
- CAS
2698-39-7- Standard SMILES
CCCOC(=O)COc1ccc(Cl)cc1C- InChIKey
DVMRDJHXBLTNCC-UHFFFAOYSA-N- Molecular formula
- C12H15ClO3
- Average molar mass
- 242.7 g/mol
- Monoisotopic mass
- 242.070972
Names & identifiers
- Preferred name
- Propyl (4-chloro-2-methylphenoxy)acetate
- IUPAC
- propyl 2-(4-chloro-2-methylphenoxy)acetate
- English name
- propyl (4-chloro-2-methylphenoxy)acetate
- Molecular formula
- C12H15ClO3
- Molecular weight
- 242.7
Names & synonyms
Propyl (4-chloro-2-methylphenoxy)acetate2698-39-7propyl 2-(4-chloro-2-methylphenoxy)acetateNSC-78913Acetic acid, (4-chloro-2-methylphenoxy)-, propyl esterNSC78913EINECS 220-276-82M-4C, propyl esterAI3-166753MP6M2T7EMNCIOpen2_004300DTXSID20181481
Show more names
NSC 78913AKOS017088575Propyl 2-methyl-4-chlorophenoxyacetateNS00028241Acetic acid, [(4-chloro-o-tolyl)oxy]-, propyl esterAcetic acid, 2-(4-chloro-2-methylphenoxy)-, propyl ester
Database identifiers
- CAS
2698-39-7- PubChem CID
- 75910
- DTXSID
DTXSID20181481- UNII
- 3MP6M2T7EM
- EC Number
- 220-276-8
- Nikkaji
- J192.203C
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 220
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…