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Molecule
Chlorflurenol Methyl
CAS: 2536-31-4 · C15H11ClO3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2536-31-4
- Molecular Formula
- C15H11ClO3
- Molecular Mass
- 274.70 g/mol
Identifiers
CAS Registry Number
2536-31-4
SMILES
COC(=O)C1(O)c2ccccc2-c2ccc(Cl)cc21
InChI Key
LINPVWIEWJTEEJ-UHFFFAOYSA-N
InChI
InChI=1S/C15H11ClO3/c1-19-14(17)15(18)12-5-3-2-4-10(12)11-7-6-9(16)8-13(11)15/h2-8,18H,1H3
Names and Synonyms
- Chlorflurenol Methyl Synonym
- 9H-Fluorene-9-carboxylic acid, 2-chloro-9-hydroxy-, methyl ester Synonym
- Chloroflurenol methyl ester Synonym
- EMD 7301 Synonym
- EMD 7301W Synonym
- Chlorflurenol methyl Synonym
- EMD-IT 3456 Synonym
- CME 74050 Synonym
- Chlorflurenol methyl ester Synonym
- CF 125 Synonym
- CME 74050P Synonym
- Chlorflurecol methyl ester Synonym
- Fluorene-9-carboxylic acid, 2-chloro-9-hydroxy-, methyl ester Synonym
- IT 3456 Synonym
- 2-Chloro-9-fluorenol-9-carboxylic acid methyl ester Synonym
- Methyl 2-chloro-9-fluorenol-9-carboxylate Synonym
- Methyl 2-chloro-9-hydroxyfluorene-9-carboxylate Synonym
- Methyl morphactin Synonym
- Methyl-2-chloro-9-hydroxyfluorene-9-carboxylic acid Synonym
- Morphactin IT 3456 Synonym
- TH 417-H Synonym
- Chlorflurecol-methyl Synonym
- 2-Chloro-9-hydroxyfluorene-9-carboxylic acid methyl ester Synonym
- Chlorfluorenolmethyl Synonym
- Maintain Synonym
- Maintain A Synonym
- Chlorfluorenol IT 3456 Synonym
- 2-Chloro-9-hydroxy-9H-fluorene-9-carboxylic acid methyl ester Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 274.70 g/mol | CAS Common Chemistry |
| 274.70300000000003 g/mol | RDKit | |
| 274.703 g/mol | RDKit | |
| 274.7 g/mol | chempirical lib | |
| Canonical SMILES | O=C(OC)C1(O)C=2C=CC=CC2C3=CC=C(Cl)C=C31 | CAS Common Chemistry |
| InChI | InChI=1S/C15H11ClO3/c1-19-14(17)15(18)12-5-3-2-4-10(12)11-7-6-9(16)8-13(11)15/h2-8,18H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=LINPVWIEWJTEEJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 136-142 °C | CAS Common Chemistry |
| Name | Chlorflurenol methyl | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 46.53 Ų | RDKit |
| LogP | 2.729300000000001 | RDKit |
| 2.7293 | RDKit | |
| 2.61 | chempirical lib | |
| Molar Refractivity | 71.90280000000003 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1333 | RDKit |
| 0.13 | chempirical lib | |
| Exact Mass | 274.03967189200006 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
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MW = 274.70 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C15H11ClO3.
