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67271-66-3

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Basic Information
CAS No.: 67271-66-3
Name: 2-chloroacetoacetamide
Molecular Structure:
Molecular Structure of 67271-66-3 (2-chloroacetoacetamide)
Formula: C4H6ClNO2
Molecular Weight: 135.55
Synonyms: 2-Chloro-3-oxobutyramide;2-Chloroacetoacetamide;4-chloroacetoacetamide;4-Chloro-3-oxobutanamide;
EINECS: 266-626-3
Density: 1.305 g/cm3
Melting Point: 76-77 °C
Boiling Point: 315.9 °C at 760 mmHg
Flash Point: 144.8 °C
PSA: 60.16000
LogP: 0.36840
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Specification

The Butanamide,2-chloro-3-oxo-, with the CAS registry number 67271-66-3, is also known as 2-Chloroacetoacetamide. It belongs to the product category of Acetylgroup. Its EINECS number is 266-626-3. This chemical's molecular formula is C4H6ClNO2 and formula weight is 135.55. What's more, its IUPAC name is 2-chloro-3-oxobutanamide.

Physical properties of Butanamide,2-chloro-3-oxo- are: (1)ACD/LogP: -0.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.64; (4)ACD/LogD (pH 7.4): -0.65; (5)ACD/BCF (pH 5.5): 1; (6)ACD/KOC (pH 5.5): 10.63; (7)ACD/KOC (pH 7.4): 10.6; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 37.38 Å2; (12)Index of Refraction: 1.47; (13)Molar Refractivity: 29.02 cm3; (14)Molar Volume: 103.8 cm3; (15)Surface Tension: 44.9 dyne/cm; (16)Density: 1.305 g/cm3; (17)Flash Point: 144.8 °C; (18)Enthalpy of Vaporization: 55.71 kJ/mol; (19)Boiling Point: 315.9 °C at 760 mmHg; (20)Vapour Pressure: 0.000426 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=O)C(C(=O)N)Cl
(2)InChI: InChI=1S/C4H6ClNO2/c1-2(7)3(5)4(6)8/h3H,1H3,(H2,6,8)
(3)InChIKey: AOOLFYMBFIGYDE-UHFFFAOYSA-N