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Molecule
Chlorflurenol
CAS: 2464-37-1 · C14H9ClO3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2464-37-1
- Molecular Formula
- C14H9ClO3
- Molecular Mass
- 260.68 g/mol
Identifiers
CAS Registry Number
2464-37-1
SMILES
O=C(O)C1(O)c2ccccc2-c2ccc(Cl)cc21
InChI Key
SVOAUHHKPGKPQK-UHFFFAOYSA-N
InChI
InChI=1S/C14H9ClO3/c15-8-5-6-10-9-3-1-2-4-11(9)14(18,13(16)17)12(10)7-8/h1-7,18H,(H,16,17)
Names and Synonyms
- Chlorflurenol Synonym
- 9H-Fluorene-9-carboxylic acid, 2-chloro-9-hydroxy- Synonym
- Fluorene-9-carboxylic acid, 2-chloro-9-hydroxy- Synonym
- 2-Chloro-9-hydroxy-9H-fluorene-9-carboxylic acid Synonym
- 2-Chloro-9-hydroxyfluorene-9-carboxylic acid Synonym
- IT 3299 Synonym
- Chlorflurenol Synonym
- Chlorflurecol Synonym
- CME 73170P Synonym
- NSC 102385 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 260.68 g/mol | CAS Common Chemistry |
| 260.676 g/mol | RDKit | |
| 260.673 g/mol | chempirical lib | |
| Canonical SMILES | O=C(O)C1(O)C=2C=CC=CC2C3=CC=C(Cl)C=C31 | CAS Common Chemistry |
| InChI | InChI=1S/C14H9ClO3/c15-8-5-6-10-9-3-1-2-4-11(9)14(18,13(16)17)12(10)7-8/h1-7,18H,(H,16,17) | CAS Common Chemistry |
| InChI Key | InChIKey=SVOAUHHKPGKPQK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 152 °C | CAS Common Chemistry |
| Name | Chlorflurenol | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 57.53 Ų | RDKit |
| LogP | 2.640900000000001 | RDKit |
| 2.6409 | RDKit | |
| Molar Refractivity | 67.52260000000003 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0714 | RDKit |
| 0.07 | chempirical lib | |
| Exact Mass | 260.024021828 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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200 ppm
180
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20
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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 = 260.68 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H9ClO3.
