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Chlorflurenol
CAS: 2464-37-1 | C14H9ClO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2464-37-1
Molecular Formula:
C14H9ClO3
Molecular Mass:
260.68 g/mol
Names and Synonyms:
Chlorflurenol
9H-Fluorene-9-carboxylic acid, 2-chloro-9-hydroxy-
Fluorene-9-carboxylic acid, 2-chloro-9-hydroxy-
2-Chloro-9-hydroxy-9H-fluorene-9-carboxylic acid
2-Chloro-9-hydroxyfluorene-9-carboxylic acid
IT 3299
Chlorflurenol
Chlorflurecol
CME 73170P
NSC 102385
Identifiers:
SMILES:
O=C(O)C1(O)c2ccccc2-c2ccc(Cl)cc21
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)
Key Properties
Melting Point
152 °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 | 260.68 g/mol | CAS Common Chemistry |
| 260.676 g/mol | RDKit | |
| 260.024021828 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 67.52260000000003 | RDKit |
