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Basic Information
CAS No.: 40557-20-8
Name: 3-bromopyrrolidin-2-one
Article Data: 11
Molecular Structure:
Molecular Structure of 40557-20-8 (3-bromopyrrolidin-2-one)
Formula: C4H6BrNO
Molecular Weight: 164.002
Synonyms: 3-bromopyrrolidin-2-one;
Density: 1.715 g/cm3
Boiling Point: 305.787 °C at 760 mmHg
Flash Point: 138.735 °C
PSA: 32.59000
LogP: 0.54570
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Specification

The 3-Bromo-2-pyrrolidinone, with the CAS registry number 40557-20-8, has molecular formula C4H6BrNO. In addition, this chemical's molecular weight is 164.00054. Its systematic name is called 3-bromopyrrolidin-2-one.

Physical properties of 3-Bromo-2-pyrrolidinone: (1)ACD/LogP: -0.10; (2)ACD/LogD (pH 5.5): -1; (3)ACD/LogD (pH 7.4): -1; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 6; (7)ACD/KOC (pH 7.4): 6; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)Index of Refraction: 1.534; (11)Molar Refractivity: 29.712 cm3; (12)Molar Volume: 95.608 cm3; (13)Surface Tension: 42.969 dyne/cm; (14)Density: 1.715 g/cm3; (15)Flash Point: 138.735 °C; (16)Enthalpy of Vaporization: 54.626 kJ/mol; (17)Boiling Point: 305.787 °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=C1NCCC1Br
(2)InChI: InChI=1/C4H6BrNO/c5-3-1-2-6-4(3)7/h3H,1-2H2,(H,6,7)
(3)InChIKey: GVPDRYJFYUWXQK-UHFFFAOYAM