1-Chloro-3-phenoxypropan-2-yl hydrogen ethylcarbonimidate
Basic information
- CAS
63967-11-3- Standard SMILES
CCNC(=O)OC(CCl)COc1ccccc1- InChIKey
AYLZFWRLSOHSND-UHFFFAOYSA-N- Molecular formula
- C12H16ClNO3
- Average molar mass
- 257.71 g/mol
- Monoisotopic mass
- 257.0818711
Names & identifiers
- Preferred name
- 1-Chloro-3-phenoxypropan-2-yl hydrogen ethylcarbonimidate
- IUPAC
- (1-chloro-3-phenoxypropan-2-yl) N-ethylcarbamate
Names & synonyms
63967-11-3DTXSID609813811-Chloro-3-phenoxypropan-2-yl hydrogen ethylcarbonimidateRefChem:1055251DTXCID2014086531-(Chloromethyl)-2-phenoxyethyl ethylcarbamateCarbamic acid, ethyl-, 1-(chloromethyl)-2-phenoxyethyl ester
Database identifiers
- CAS
63967-11-3- PubChem CID
- 3048741
- DTXSID
DTXSID60981381
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 220
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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