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Molecule
(+)-3-Bromocamphor
CAS: 10293-06-8 · C10H15BrO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 10293-06-8
- Molecular Formula
- C10H15BrO
- Molecular Mass
- 231.13 g/mol
Identifiers
CAS Registry Number
10293-06-8
SMILES
CC1(C)[C@@H]2CC[C@@]1(C)C(=O)[C@H]2Br
InChI Key
NJQADTYRAYFBJN-FWWHASMVSA-N
InChI
InChI=1S/C10H15BrO/c1-9(2)6-4-5-10(9,3)8(12)7(6)11/h6-7H,4-5H2,1-3H3/t6-,7+,10+/m1/s1
Names and Synonyms
- (+)-3-Bromocamphor Common Name
- Bicyclo[2.2.1]heptan-2-one, 3-bromo-1,7,7-trimethyl-, (1R,3S,4S)- Synonym
- 2-Bornanone, 3-bromo-, (1R,3S,4S)-(+)- Synonym
- Bicyclo[2.2.1]heptan-2-one, 3-bromo-1,7,7-trimethyl-, (1R-endo)- Synonym
- Camphor, 3α-bromo-, (+)- Synonym
- (1R,3S,4S)-3-Bromo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one Synonym
- endo-(+)-3-Bromo-2-bornanone Synonym
- (+)-3-Bromocamphor Synonym
- (+)-endo-3-Bromocamphor Synonym
- (1R-endo)-(+)-3-Bromocamphor Synonym
- (1R)-endo-3-Bromocamphor Synonym
- (1R-endo)-3-Bromo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 231.13 g/mol | CAS Common Chemistry |
| 231.133 g/mol | RDKit | |
| Canonical SMILES | O=C1C(Br)C2CCC1(C)C2(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H15BrO/c1-9(2)6-4-5-10(9,3)8(12)7(6)11/h6-7H,4-5H2,1-3H3/t6-,7+,10+/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=NJQADTYRAYFBJN-FWWHASMVSA-N | CAS Common Chemistry |
| Melting Point | 76 °C | CAS Common Chemistry |
| Name | (+)-3-Bromocamphor | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 17.07 Ų | RDKit |
| LogP | 2.775100000000001 | RDKit |
| 2.7751 | RDKit | |
| Molar Refractivity | 52.33400000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9 | RDKit |
| Exact Mass | 230.0306272 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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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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0 ppm
| 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.
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MW = 231.13 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H15BrO.
