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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
Names and Synonyms:
Fluorenylmethyloxycarbonyl Chloride
Carbonochloridic acid, 9H-fluoren-9-ylmethyl ester
Formic acid, chloro-, fluoren-9-ylmethyl ester
Fluorene-9-methanol, chloroformate
9-Fluorenylmethoxycarbonyl chloride
9-Fluorenylmethyl chloroformate
AminoTag
9-Fluorenylmethyl chlorocarbonate
9H-Fluoren-9-ylmethyl chloroformate
FMOC chloride
Fluorenylmethyl chloroformate
FmocCl
(9H-Fluoren-9-ylmethoxy)carbonyl chloride
9H-Fluoren-9-ylmethyl carbonochloridate
Chloroformic acid 9-fluorenylmethyl ester
Identifiers:
SMILES:
O=C(Cl)OCC1c2ccccc2-c2ccccc21
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
Key Properties
Melting Point
62-63 °C
CAS Common Chemistry
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 | 258.70 g/mol | CAS Common Chemistry |
| 258.70400000000006 g/mol | RDKit | |
| 258.044757272 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 70.92200000000003 | RDKit |
