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56671-81-9

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Basic Information
CAS No.: 56671-81-9
Name: 3-Bromocyclohex-2-enone
Article Data: 27
Molecular Structure:
Molecular Structure of 56671-81-9 (3-Bromocyclohex-2-enone)
Formula: C6H7BrO
Molecular Weight: 175.025
Synonyms: 3-Brom-cyclohexen-2-on;
Density: 1.611g/cm3
Boiling Point: 215.2°Cat760mmHg
Flash Point: 93.9°C
PSA: 17.07000
LogP: 2.01820
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Chemistry


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

Specification

  3-Bromocyclohex-2-enone (CAS NO.56671-81-9), its Synonym is 3-Brom-cyclohexen-2-on .