Carbamic acid, butyl-, 1-chloro-3-phenoxy-2-propyl ester
Basic information
- CAS
63967-12-4- Standard SMILES
CCCCNC(=O)OC(CCl)COc1ccccc1- InChIKey
PATSIPKNBMUWOF-UHFFFAOYSA-N- Molecular formula
- C14H20ClNO3
- Average molar mass
- 285.76 g/mol
- Monoisotopic mass
- 285.1131712
Names & identifiers
- Preferred name
- Carbamic acid, butyl-, 1-chloro-3-phenoxy-2-propyl ester
- IUPAC
- (1-chloro-3-phenoxypropan-2-yl) N-butylcarbamate
Names & synonyms
63967-12-4CARBAMIC ACID, BUTYL-, 1-CHLORO-3-PHENOXY-2-PROPYL ESTERRefChem:10808771-Chloro-3-phenoxy-2-propyl butylcarbamateBRN 2145367DTXSID209813821-Chloro-3-phenoxypropan-2-yl hydrogen butylcarbonimidate
Database identifiers
- CAS
63967-12-4- PubChem CID
- 45747
- DTXSID
DTXSID20981382- Nikkaji
- J67.535K
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 245
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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