Back to Search
Molecule
(Αr)-2,6-Dichloro-3-Fluoro-Α-Methylbenzenemethanol
CAS: 330156-50-8 · C8H7Cl2FO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 330156-50-8
- Molecular Formula
- C8H7Cl2FO
- Molecular Mass
- 209.05 g/mol
Identifiers
CAS Registry Number
330156-50-8
SMILES
C[C@@H](O)c1c(Cl)ccc(F)c1Cl
InChI Key
JAOYKRSASYNDGH-SCSAIBSYSA-N
InChI
InChI=1S/C8H7Cl2FO/c1-4(12)7-5(9)2-3-6(11)8(7)10/h2-4,12H,1H3/t4-/m1/s1
Names and Synonyms
- (Αr)-2,6-Dichloro-3-Fluoro-Α-Methylbenzenemethanol Systematic Name
- Benzenemethanol, 2,6-dichloro-3-fluoro-α-methyl-, (αR)- Synonym
- (αR)-2,6-Dichloro-3-fluoro-α-methylbenzenemethanol Synonym
- (R)-1-(2,6-Dichloro-3-fluorophenyl)ethanol Synonym
- (1R)-1-(2,6-Dichloro-3-fluorophenyl)ethan-1-ol Synonym
- (R)-1-(2,6-Dichloro-3-fluorophenyl)ethanol Synonym
- (1R)-1-(2,6-Dichloro-3-fluorophenyl)ethanol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 209.05 g/mol | CAS Common Chemistry |
| 209.047 g/mol | RDKit | |
| 209.041 g/mol | chempirical lib | |
| Canonical SMILES | FC1=CC=C(Cl)C(=C1Cl)C(O)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H7Cl2FO/c1-4(12)7-5(9)2-3-6(11)8(7)10/h2-4,12H,1H3/t4-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=JAOYKRSASYNDGH-SCSAIBSYSA-N | CAS Common Chemistry |
| Name | (αR)-2,6-Dichloro-3-fluoro-α-methylbenzenemethanol | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 3.1858000000000004 | RDKit |
| 3.1858 | RDKit | |
| 3.18 | chempirical lib | |
| Molar Refractivity | 47.053800000000024 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 207.985798424 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.
External Resources
Convert
Quick conversion
MW = 209.05 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H7Cl2FO.
