1-Chloro-3-(propan-2-yloxy)propan-2-yl phenylcarbamate
Basic information
- CAS
5396-87-2- Standard SMILES
CC(C)OCC(CCl)OC(=O)Nc1ccccc1- InChIKey
JOUQKJFCPAXJMK-UHFFFAOYSA-N- Molecular formula
- C13H18ClNO3
- Average molar mass
- 271.74 g/mol
- Monoisotopic mass
- 271.0975211
Names & identifiers
- Preferred name
- 1-Chloro-3-(propan-2-yloxy)propan-2-yl phenylcarbamate
- IUPAC
- (1-chloro-3-propan-2-yloxypropan-2-yl) N-phenylcarbamate
Names & synonyms
5396-87-21-chloro-3-(propan-2-yloxy)propan-2-yl phenylcarbamateNSC4387DTXSID30277829NSC-43871-Chloro-3-[(propan-2-yl)oxy]propan-2-yl phenylcarbamate
Database identifiers
- CAS
5396-87-2- PubChem CID
- 220889
- DTXSID
DTXSID30277829
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 242
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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