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Molecule
1,1-Bis(4-Cyanatophenyl)Ethane
CAS: 47073-92-7 · C16H12N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 47073-92-7
- Molecular Formula
- C16H12N2O2
- Molecular Mass
- 264.28 g/mol
Identifiers
CAS Registry Number
47073-92-7
SMILES
CC(c1ccc(OC#N)cc1)c1ccc(OC#N)cc1
InChI Key
SIZDMAYTWUINIG-UHFFFAOYSA-N
InChI
InChI=1S/C16H12N2O2/c1-12(13-2-6-15(7-3-13)19-10-17)14-4-8-16(9-5-14)20-11-18/h2-9,12H,1H3
Names and Synonyms
- 1,1-Bis(4-Cyanatophenyl)Ethane Systematic Name
- CE 09MO Synonym
- P 201 Synonym
- P 201 (cyanate ester) Synonym
- Cyanic acid, C,C′-(ethylidenedi-4,1-phenylene) ester Synonym
- Cyanic acid, ethylidenedi-4,1-phenylene ester Synonym
- AroCy L 10 Synonym
- 1,1-Bis(4-cyanatophenyl)ethane Synonym
- L 10 Synonym
- AroCy L 30 Synonym
- Primaset LeCy Synonym
- LeCy Synonym
- HF 9 Synonym
- BEDCy Synonym
- Bisphenol E dicyanate Synonym
- Bisphenol E dicyanate ester Synonym
- CE 09M0 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 264.28 g/mol | CAS Common Chemistry |
| 264.284 g/mol | RDKit | |
| Canonical SMILES | N#COC1=CC=C(C=C1)C(C2=CC=C(OC#N)C=C2)C | CAS Common Chemistry |
| InChI | InChI=1S/C16H12N2O2/c1-12(13-2-6-15(7-3-13)19-10-17)14-4-8-16(9-5-14)20-11-18/h2-9,12H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=SIZDMAYTWUINIG-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,1-Bis(4-cyanatophenyl)ethane | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 66.03999999999999 Ų | RDKit |
| 66.04 Ų | RDKit | |
| LogP | 3.5581600000000018 | RDKit |
| 3.5582 | RDKit | |
| Molar Refractivity | 72.88300000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.125 | RDKit |
| 0.12 | chempirical lib | |
| Exact Mass | 264.089877624 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 264.28 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C16H12N2O2.
