2H-1,4-Benzoxazin-3(4H)-one,6-(bromomethyl)-4-(3-methoxypropyl)- (911705-42-5)

The CAS register number of 6-(Bromomethyl)-4-(3-methoxypropyl)-2H-benzo[b][1,4]oxazin-3(4H)-one is 911705-42-5. It also can be called as 2H-1,4-Benzoxazin-3(4H)-one,6-(bromomethyl)-4-(3-methoxypropyl)- and the IUPAC name about this chemical is 6-(bromomethyl)-4-(3-methoxypropyl)-1,4-benzoxazin-3-one. The molecular formula about this chemical is C₁₃H₁₆BrNO₃ and the molecular weight is 314.18.

Physical properties about 6-(Bromomethyl)-4-(3-methoxypropyl)-2H-benzo[b][1,4]oxazin-3(4H)-one are: (1)ACD/LogP: 1.92; (2)ACD/LogD (pH 5.5): 1.915; (3)ACD/LogD (pH 7.4): 1.915; (4)ACD/BCF (pH 5.5): 16.813; (5)ACD/BCF (pH 7.4): 16.814; (6)ACD/KOC (pH 5.5): 262.385; (7)ACD/KOC (pH 7.4): 262.393; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 38.77Ų; (11)Index of Refraction: 1.565; (12)Molar Refractivity: 72.103 cm³; (13)Molar Volume: 221.306 cm³; (14)Polarizability: 28.584x10^-24cm³; (15)Surface Tension: 45.907 dyne/cm; (16)Enthalpy of Vaporization: 77.046 kJ/mol; (17)Boiling Point: 501.604 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: COCCCN1c2cc(ccc2OCC1=O)CBr
(2)InChI: InChI=1/C13H16BrNO3/c1-17-6-2-5-15-11-7-10(8-14)3-4-12(11)18-9-13(15)16/h3-4,7H,2,5-6,8-9H2,1H3
(3)InChIKey: YYYPUGIQQUSTSA-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C13H16BrNO3/c1-17-6-2-5-15-11-7-10(8-14)3-4-12(11)18-9-13(15)16/h3-4,7H,2,5-6,8-9H2,1H3
(5)Std. InChIKey: YYYPUGIQQUSTSA-UHFFFAOYSA-N