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30095-56-8

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Basic Information
CAS No.: 30095-56-8
Name: 3'-Acetamido-2-bromoacetophenone
Article Data: 8
Molecular Structure:
Molecular Structure of 30095-56-8 (3'-Acetamido-2-bromoacetophenone)
Formula: C10H10BrNO2
Molecular Weight: 256.099
Synonyms: Acetamide,N-[3-(bromoacetyl)phenyl]- (9CI);Acetanilide, 3'-(bromoacetyl)- (8CI);3'-Bromoacetylacetanilide;
Density: 1.531 g/cm3
Boiling Point: 424.781 °C at 760 mmHg
Flash Point: 210.7 °C
PSA: 46.17000
LogP: 2.29560
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Specification

The Acetamide,N-[3-(2-bromoacetyl)phenyl]-, with the CAS registry number 30389-33-4, is also known as N-[3-(2-Bromoacetyl)phenyl]acetamide. This chemical's molecular formula is C10H10BrNO2 and molecular weight is 256.0959. Its systematic name is called N-[3-(bromoacetyl)phenyl]acetamide.

Physical properties of Acetamide,N-[3-(2-bromoacetyl)phenyl]-: (1)ACD/LogP: 1.63; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 10; (5)ACD/BCF (pH 7.4): 10; (6)ACD/KOC (pH 5.5): 182; (7)ACD/KOC (pH 7.4): 182; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.614; (12)Molar Refractivity: 58.285 cm3; (13)Molar Volume: 167.228 cm3; (14)Surface Tension: 51.661 dyne/cm; (15)Density: 1.531 g/cm3; (16)Flash Point: 210.7 °C; (17)Enthalpy of Vaporization: 67.933 kJ/mol; (18)Boiling Point: 424.781 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(C)Nc1cc(ccc1)C(=O)CBr
(2)InChI: InChI=1/C10H10BrNO2/c1-7(13)12-9-4-2-3-8(5-9)10(14)6-11/h2-5H,6H2,1H3,(H,12,13)
(3)InChIKey: IBMUCSJKSQYUIB-UHFFFAOYAS