Basic information
- Name:
3-(2-Bromo-1-oxopropyl)-spiro[2H-1,3-benzoxazine-2,1'-cyclohexan]-4(3H)-one
- CAS No.:
158299-05-9
- Molecular Structure:
![Molecular Structure of 158299-05-9 (3-(2-Bromo-1-oxopropyl)-spiro[2H-1,3-benzoxazine-2,1'-cyclohexan]-4(3H)-one)](http://www.lookchem.com/300w/2010/076/158299-05-9.jpg)
- Formula:
- C16H18BrNO3
- Molecular Weight:
- 352.21
- Synonyms:
- spiro[2H-1,3-benzoxazine-2,1'-cyclohexan]-4(3H)-one, 3-(2-bromo-1-oxopropyl)-;
- Density:
- 1.48 g/cm3
- Melting Point:
- 73-75 °C
- Boiling Point:
- 485 °C at 760 mmHg
- Flash Point:
- 247.1 °C
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Chemistry
Molecular Structure of 3-(2-Bromo-1-oxopropyl)-spiro[2H-1,3-benzoxazine-2,1'-cyclohexan]-4(3H)-one (CAS NO.158299-05-9):
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CAS: 158299-05-9
Empirical Formula: C16H18BrNO3
Molecular Weight: 352.223
H bond acceptors: 4
H bond donors: 0
Freely Rotating Bonds: 1
Polar Surface Area: 46.61 Å2
Index of Refraction: 1.613
Molar Refractivity: 82.53 cm3
Molar Volume: 237.1 cm3
Surface Tension: 55.6 dyne/cm
Density: 1.48 g/cm3
Flash Point: 247.1 °C
Enthalpy of Vaporization: 75.04 kJ/mol
Boiling Point: 485 °C at 760 mmHg
Vapour Pressure: 1.47E-09 mmHg at 25°C
SMILES: BrC(C(=O)N1C(=O)c3c(OC12CCCCC2)cccc3)C
InChI: InChI=1/C16H18BrNO3/c1-11(17)14(19)18-15(20)12-7-3-4-8-13(12)21-16(18)9-5-2-6-10-16/h3-4,7-8,11H,2,5-6,9-10H2,1H3
Specification
3-(2-Bromo-1-oxopropyl)-spiro[2H-1,3-benzoxazine-2,1'-cyclohexan]-4(3H)-one , with CAS number of 158299-05-9, can be called Bpsbc ; BR-Comp ; 3-isobutyrylspiro[benzo[e][1,3]oxazine-2,1'-cyclohexan]-4(3H)-one .
