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(-)-Camphanoyl Chloride
CAS: 39637-74-6 | C10H13ClO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
39637-74-6
Molecular Formula:
C10H13ClO3
Molecular Mass:
216.66 g/mol
Names and Synonyms:
(-)-Camphanoyl Chloride
2-Oxabicyclo[2.2.1]heptane-1-carbonyl chloride, 4,7,7-trimethyl-3-oxo-, (1S,4R)-
2-Oxabicyclo[2.2.1]heptane-1-carbonyl chloride, 4,7,7-trimethyl-3-oxo-, (1S)-
(1S,4R)-4,7,7-Trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl chloride
Camphanoyl chloride
(-)-Camphanoyl chloride
Camphanic acid chloride
(1S,4R)-ω-Camphanoyl chloride
(-)-Camphanic acid chloride
(1S)-(-)-Camphanoyl chloride
(1S)-(-)-Camphanic chloride
(1S)-(-)-Camphanic acid chloride
(-)-Camphanic chloride
(1S,4R)-(-)-Camphanic acid chloride
(1S)-(-)-Camphanoyl chloride
(-)-(S)-Camphanyl chloride
(1S)-(-)-ω-Camphanic chloride
(-)-(1S,4R)-Camphanoyl chloride
(S)-Camphanoyl chloride
(-)-(1S)-Camphanoyl chloride
(S)-Camphanic acid chloride
(1S)-Camphanoyl chloride
(-)-Camphanyl chloride
(1S)-(-)-Camphanyl chloride
Identifiers:
SMILES:
CC1(C)[C@@]2(C)CC[C@]1(C(=O)Cl)OC2=O
InChI:
InChI=1S/C10H13ClO3/c1-8(2)9(3)4-5-10(8,6(11)12)14-7(9)13/h4-5H2,1-3H3/t9-,10+/m0/s1
Key Properties
Melting Point
70-71 °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 | 216.66 g/mol | CAS Common Chemistry |
| 216.664 g/mol | RDKit | |
| 216.055321956 g/mol | RDKit | |
| Canonical SMILES | O=C(Cl)C12OC(=O)C(C)(CC1)C2(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H13ClO3/c1-8(2)9(3)4-5-10(8,6(11)12)14-7(9)13/h4-5H2,1-3H3/t9-,10+/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=PAXWODJTHKJQDZ-VHSXEESVSA-N | CAS Common Chemistry |
| Melting Point | 70-71 °C | CAS Common Chemistry |
| Name | (-)-Camphanoyl chloride | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 43.370000000000005 Ų | RDKit |
| LogP | 1.8737 | RDKit |
| Molar Refractivity | 50.80500000000003 | RDKit |
