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158299-05-9

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Basic Information
CAS No.: 158299-05-9
Name: 3-(2-Bromo-1-oxopropyl)-spiro[2H-1,3-benzoxazine-2,1'-cyclohexan]-4(3H)-one
Article Data: 6
Molecular Structure:
Molecular Structure of 158299-05-9 (3-(2-Bromo-1-oxopropyl)-spiro[2H-1,3-benzoxazine-2,1'-cyclohexan]-4(3H)-one)
Formula: C16H18BrNO3
Molecular Weight: 352.228
Synonyms: spiro[2H-1,3-benzoxazine-2,1'-cyclohexan]-4(3H)-one, 3-(2-bromo-1-oxopropyl)-;
EINECS: 1806241-263-5
Density: 1.48 g/cm3
Melting Point: 73-75 °C
Boiling Point: 485 °C at 760 mmHg
Flash Point: 247.1 °C
PSA: 46.61000
LogP: 3.42950
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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):

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 .