1-(4-Chlorophenyl)-1-phenyl-2-propynylcarbamate
Basic information
- CAS
10473-70-8- Standard SMILES
C#CC(OC(N)=O)(c1ccccc1)c1ccc(Cl)cc1- InChIKey
SXHWIUYWGJFLKB-UHFFFAOYSA-N- Molecular formula
- C16H12ClNO2
- Average molar mass
- 285.72 g/mol
- Monoisotopic mass
- 285.0556563
Names & identifiers
- Preferred name
- 1-(4-Chlorophenyl)-1-phenyl-2-propynylcarbamate
- IUPAC
- [1-(4-chlorophenyl)-1-phenylprop-2-ynyl] carbamate
- English name
- 1-(p-Chlorophenyl)-1-phenyl-2-propyne-1-ol=carbamate
- Molecular formula
- C16H12ClNO2
- Molecular weight
- 0
Names & synonyms
1-(4-Chlorophenyl)-1-phenyl-2-propynyl carbamate10473-70-81-(4-Chlorophenyl)-1-phenyl-2-propynylcarbamateDTXSID0020313RefChem:74448DTXCID403131-(4-chlorophenyl)-1-phenylprop-2-yn-1-yl carbamateBRN 18874181-(p-Chlorophenyl)-1-phenyl-2-propyn-1-ol carbamate2-Propyn-1-ol, 1-(p-chlorophenyl)-1-phenyl-, carbamate2-Propynoic acid, 1-(p-chlorophenyl)-1-phenyl-, carbamate4-Chloro-alpha-ethynyl-alpha-phenylbenzenemethanol carbamate
Show more names
1-(p-Chlorophenyl)-1-phenyl-2-propyne-1-ol=carbamateCarbamic acid 1-(p-chlorophenyl)-1-phenyl-2-propyn-1-yl esterCarbamidsaeure-
Carbamic acid, 1-(4-chlorophenyl)-1-phenyl-2-propynyl esterQ63088170
Database identifiers
- CAS
10473-70-8- PubChem CID
- 25301
- DTXSID
DTXSID0020313- Nikkaji
- J42.872H
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 389
Physicochemical properties
- Density
- 1.198 · 1.1980 (rough estimate)
- refractive index
- 1.52 · 1.5200 (estimate)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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