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140700-64-7

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Basic Information
CAS No.: 140700-64-7
Name: 3-IODO-BENZAZEPIN-2-ONE
Article Data: 14
Molecular Structure:
Molecular Structure of 140700-64-7 (3-IODO-BENZAZEPIN-2-ONE)
Formula: C10H10INO
Molecular Weight: 287.1
Synonyms: 3-Iodo-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one;
Density: 1.77 g/cm3
Boiling Point: 405.955 °C at 760 mmHg
Flash Point: 199.315 °C
PSA: 29.96000
LogP: 2.19960
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Specification

The 2H-1-Benzazepin-2-one,1,3,4,5-tetrahydro-3-iodo-, with the CAS registry number 140700-64-7, is also known as 3-Iod-1,3,4,5-tetrahydro-2H-1-benzazepin-2-on. This chemical's molecular formula is C10H10INO and molecular weight is 287.097. Its systematic name is called 3-iodo-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one.

Physical properties of 2H-1-Benzazepin-2-one,1,3,4,5-tetrahydro-3-iodo-: (1)ACD/LogP: 2.56; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 50; (5)ACD/BCF (pH 7.4): 50; (6)ACD/KOC (pH 5.5): 576; (7)ACD/KOC (pH 7.4): 576; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)Index of Refraction: 1.661; (11)Molar Refractivity: 59.897 cm3; (12)Molar Volume: 162.152 cm3; (13)Surface Tension: 54.079 dyne/cm; (14)Density: 1.771 g/cm3; (15)Flash Point: 199.315 °C; (16)Enthalpy of Vaporization: 65.762 kJ/mol; (17)Boiling Point: 405.955 °C at 760 mmHg; (18)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: IC2C(=O)Nc1ccccc1CC2
(2)InChI: InChI=1/C10H10INO/c11-8-6-5-7-3-1-2-4-9(7)12-10(8)13/h1-4,8H,5-6H2,(H,12,13)
(3)InChIKey: SSQCOKYODRYBCD-UHFFFAOYAP