Back to Search
Chlorferon
CAS: 6174-86-3 | C10H7ClO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6174-86-3
Molecular Formula:
C10H7ClO3
Molecular Mass:
210.62 g/mol
Names and Synonyms:
Chlorferon
2H-1-Benzopyran-2-one, 3-chloro-7-hydroxy-4-methyl-
Coumarin, 3-chloro-7-hydroxy-4-methyl-
Umbelliferone, 3-chloro-4-methyl-
3-Chloro-7-hydroxy-4-methyl-2H-1-benzopyran-2-one
3-Chloro-7-hydroxy-4-methylcoumarin
3-Chloro-4-methyl-7-hydroxycoumarin
Chlorferone
7-Hydroxy-4-methyl-3-chlorocoumarin
NSC 24924
NSC 44204
Chlorferon
3-Chloro-7-hydroxy-4-methyl-2H-chromen-2-one
3-Chloro-7-hydroxy-4-methylchromen-2-one
Identifiers:
SMILES:
Cc1c(Cl)c(=O)oc2cc(O)ccc12
InChI:
InChI=1S/C10H7ClO3/c1-5-7-3-2-6(12)4-8(7)14-10(13)9(5)11/h2-4,12H,1H3
Key Properties
Melting Point
240 °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 | 210.62 g/mol | CAS Common Chemistry |
| 210.616 g/mol | RDKit | |
| 210.008371764 g/mol | RDKit | |
| Canonical SMILES | O=C1OC=2C=C(O)C=CC2C(=C1Cl)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H7ClO3/c1-5-7-3-2-6(12)4-8(7)14-10(13)9(5)11/h2-4,12H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ODZHLDRQCZXQFQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 240 °C | CAS Common Chemistry |
| Name | Chlorferon | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 50.44 Ų | RDKit |
| LogP | 2.46042 | RDKit |
| Molar Refractivity | 53.895800000000015 | RDKit |
