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1,1-Bis(4-Cyanatophenyl)Ethane
CAS: 47073-92-7 | C16H12N2O2
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
47073-92-7
Molecular Formula:
C16H12N2O2
Molecular Mass:
264.28 g/mol
Names and Synonyms:
1,1-Bis(4-Cyanatophenyl)Ethane
CE 09MO
P 201
P 201 (cyanate ester)
Cyanic acid, C,C′-(ethylidenedi-4,1-phenylene) ester
Cyanic acid, ethylidenedi-4,1-phenylene ester
AroCy L 10
1,1-Bis(4-cyanatophenyl)ethane
L 10
AroCy L 30
Primaset LeCy
LeCy
HF 9
BEDCy
Bisphenol E dicyanate
Bisphenol E dicyanate ester
CE 09M0
Identifiers:
SMILES:
CC(c1ccc(OC#N)cc1)c1ccc(OC#N)cc1
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
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 264.28 g/mol | CAS Common Chemistry |
| 264.284 g/mol | RDKit | |
| 264.089877624 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 |
| LogP | 3.5581600000000018 | RDKit |
| Molar Refractivity | 72.88300000000004 | RDKit |
