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Molecule
Fluorenylmethyloxycarbonyl Chloride
CAS: 28920-43-6 · C15H11ClO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 28920-43-6
- Molecular Formula
- C15H11ClO2
- Molecular Mass
- 258.70 g/mol
Identifiers
CAS Registry Number
28920-43-6
SMILES
O=C(Cl)OCC1c2ccccc2-c2ccccc21
InChI Key
IRXSLJNXXZKURP-UHFFFAOYSA-N
InChI
InChI=1S/C15H11ClO2/c16-15(17)18-9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-8,14H,9H2
Names and Synonyms
- Fluorenylmethyloxycarbonyl Chloride Common Name
- Carbonochloridic acid, 9H-fluoren-9-ylmethyl ester Synonym
- Formic acid, chloro-, fluoren-9-ylmethyl ester Synonym
- Fluorene-9-methanol, chloroformate Synonym
- 9-Fluorenylmethoxycarbonyl chloride Synonym
- 9-Fluorenylmethyl chloroformate Synonym
- AminoTag Synonym
- 9-Fluorenylmethyl chlorocarbonate Synonym
- 9H-Fluoren-9-ylmethyl chloroformate Synonym
- FMOC chloride Synonym
- Fluorenylmethyl chloroformate Synonym
- FmocCl Synonym
- (9H-Fluoren-9-ylmethoxy)carbonyl chloride Synonym
- 9H-Fluoren-9-ylmethyl carbonochloridate Synonym
- Chloroformic acid 9-fluorenylmethyl ester Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 258.70 g/mol | CAS Common Chemistry |
| 258.70400000000006 g/mol | RDKit | |
| 258.704 g/mol | RDKit | |
| 258.701 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Fluorenylmethyloxycarbonyl_chloride | CAS Common Chemistry |
| Canonical SMILES | O=C(Cl)OCC1C=2C=CC=CC2C=3C=CC=CC31 | CAS Common Chemistry |
| InChI | InChI=1S/C15H11ClO2/c16-15(17)18-9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-8,14H,9H2 | CAS Common Chemistry |
| InChI Key | InChIKey=IRXSLJNXXZKURP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 62-63 °C | CAS Common Chemistry |
| Name | 9-Fluorenylmethyl chloroformate | CAS Common Chemistry |
| Fluorenylmethyloxycarbonyl chloride | CAS Common Chemistry | |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 26.3 Ų | RDKit |
| LogP | 4.174300000000002 | RDKit |
| 4.1743 | RDKit | |
| Molar Refractivity | 70.92200000000003 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1333 | RDKit |
| 0.13 | chempirical lib | |
| Exact Mass | 258.044757272 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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.
External Resources
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MW = 258.70 g/mol. Edit any field — others recompute live.
