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97511-06-3

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Basic Information
CAS No.: 97511-06-3
Name: 1-(1-BENZOTHIOPHEN-2-YL)-2-BROMO-1-ETHANONE
Article Data: 13
Molecular Structure:
Molecular Structure of 97511-06-3 (1-(1-BENZOTHIOPHEN-2-YL)-2-BROMO-1-ETHANONE)
Formula: C10H7BrOS
Molecular Weight: 255.135
Synonyms: Ketone,benzo[b]thien-2-yl bromomethyl (6CI);1-(Benzo[b]thiophen-2-yl)-2-bromoethan-1-one;1-(Benzo[b]thiophen-2-yl)-2-bromoethanone;2-(Bromoacetyl)benzo[b]thiophene;
Density: 1.617 g/cm3
Melting Point: 117.5-118.5 °C
Boiling Point: 352 °C at 760 mmHg
Flash Point: 166.7 °C
Hazard Symbols: CorrosiveC
PSA: 45.31000
LogP: 3.47890
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Specification

The Ethanone,1-benzo[b]thien-2-yl-2-bromo- is an organic compound with the formula C10H7BrOS. The systematic name of this chemical is 1-(1-benzothiophen-2-yl)-2-bromoethanone. With the CAS registry number 97511-06-3, it is also named as 1-(Benzo[b]thiophen-2-yl)-2-bromoethan-1-one.

Physical properties about Ethanone,1-benzo[b]thien-2-yl-2-bromo- are: (1)ACD/LogP: 4.35; (2)ACD/LogD (pH 5.5): 4.35; (3)ACD/LogD (pH 7.4): 4.35; (4)ACD/BCF (pH 5.5): 1195.21; (5)ACD/BCF (pH 7.4): 1195.21; (6)ACD/KOC (pH 5.5): 5551.79; (7)ACD/KOC (pH 7.4): 5551.79; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 45.31 Å2; (11)Index of Refraction: 1.689; (12)Molar Refractivity: 60.23 cm3; (13)Molar Volume: 157.7 cm3; (14)Polarizability: 23.88×10-24cm3; (15)Surface Tension: 56 dyne/cm; (16)Density: 1.617 g/cm3; (17)Flash Point: 166.7 °C; (18)Enthalpy of Vaporization: 59.67 kJ/mol; (19)Boiling Point: 352 °C at 760 mmHg; (20)Vapour Pressure: 3.96E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: BrCC(=O)c2sc1ccccc1c2
(2)InChI: InChI=1/C10H7BrOS/c11-6-8(12)10-5-7-3-1-2-4-9(7)13-10/h1-5H,6H2
(3)InChIKey: WVTSOGFICBVCRE-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C10H7BrOS/c11-6-8(12)10-5-7-3-1-2-4-9(7)13-10/h1-5H,6H2
(5)Std. InChIKey: WVTSOGFICBVCRE-UHFFFAOYSA-N