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40299-87-4

Basic Information
CAS No.: 40299-87-4
Name: CHEMBRDG-BB 4023671
Article Data: 45
Molecular Structure:
Molecular Structure of 40299-87-4 (CHEMBRDG-BB 4023671)
Formula: C6H10BrNO2
Molecular Weight: 208.055
Synonyms: CHEMBRDG-BB 4023671;4-(BROMOACETYL)MORPHOLINE;morpholine, 4-(bromoacetyl)-;4-(bromoacetyl)morpholine(SALTDATA: FREE);2-BroMo-1-(Morpholin-4-yl)ethanone;4-(2-BroMoacetyl)Morpholine;2-BroMo-1-(Morpholin-4-yl)ethan-1-one;2-Bromo-1-morpholinoethanone
Density: 1.564 g/cm3
Boiling Point: 308.452 °C at 760 mmHg
Flash Point: 140.347 °C
PSA: 29.54000
LogP: 0.17800
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Specification

The 2-Bromo-1-(4-morpholinyl)ethanone is an organic compound with the formula C6H10BrNO2. The systematic name of this chemical is 2-bromo-1-(morpholin-4-yl)ethanone. With the CAS registry number 40299-87-4, it is also named as Ethanone, 2-bromo-1-(4-morpholinyl)-.

Physical properties about 2-Bromo-1-(4-morpholinyl)ethanone are: (1)ACD/LogP: 0.34; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 38; (5)ACD/KOC (pH 7.4): 38; (6)#H bond acceptors: 3; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 29.54 Å2; (9)Index of Refraction: 1.522; (10)Molar Refractivity: 40.556 cm3; (11)Molar Volume: 132.992 cm3; (12)Polarizability: 16.078×10-24cm3; (13)Surface Tension: 45.489 dyne/cm; (14)Density: 1.564 g/cm3; (15)Flash Point: 140.347 °C; (16)Enthalpy of Vaporization: 54.913 kJ/mol; (17)Boiling Point: 308.452 °C at 760 mmHg; (18)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(CBr)N1CCOCC1
(2)InChI: InChI=1/C6H10BrNO2/c7-5-6(9)8-1-3-10-4-2-8/h1-5H2
(3)InChIKey: LLLQAMNGYJQUKK-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C6H10BrNO2/c7-5-6(9)8-1-3-10-4-2-8/h1-5H2
(5)Std. InChIKey: LLLQAMNGYJQUKK-UHFFFAOYSA-N