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Cas Database |
| Name |
3-Bromocyclohex-2-enone |
EINECS | N/A |
| CAS No. | 56671-81-9 | Density | 1.611g/cm3 |
| PSA | 17.07000 | LogP | 2.01820 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C6H7BrO | Boiling Point | 215.2°Cat760mmHg |
| Molecular Weight | 175.025 | Flash Point | 93.9°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
3-Brom-cyclohexen-2-on; |
Article Data | 27 |
3-Bromocyclohex-2-enone Chemical Properties
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IUPAC Name: 3-Bromocyclohex-2-en-1-one
Canonical SMILES: C1CC(=CC(=O)C1)Br
InChI: InChI=1S/C6H7BrO/c7-5-2-1-3-6(8)4-5/h4H,1-3H2
InChIKey: BVSMYYHGYVHWCD-UHFFFAOYSA-N
Molecular Weight: 175.02318 [g/mol]
Molecular Formula: C6H7BrO
XLogP3-AA: 1.3
H-Bond Donor: 0
H-Bond Acceptor: 1
Rotatable Bond Count: 0
Tautomer Count: 5
Exact Mass: 173.968027
MonoIsotopic Mass: 173.968027
Topological Polar Surface Area: 17.1
Heavy Atom Count: 8
Complexity: 138
Index of Refraction: 1.561
Molar Refractivity: 35.187 cm3
Molar Volume: 108.599 cm3
Surface Tension: 45.844 dyne/cm
Density: 1.612 g/cm3
Flash Point: 93.889 °C
Enthalpy of Vaporization: 45.156 kJ/mol
Boiling Point: 215.216 °C at 760 mmHg
Vapour Pressure: 0.149 mmHg at 25 °C
Product Categories of 3-Bromocyclohex-2-enone (CAS NO.56671-81-9): pharmacetical
3-Bromocyclohex-2-enone Specification
3-Bromocyclohex-2-enone (CAS NO.56671-81-9), its Synonym is 3-Brom-cyclohexen-2-on .
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