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Name |
7-Chloro-1,2,3,4-tetrahydro-1-[(4-methylphenyl)sulfonyl]-5H-1-benzazepin-5-one |
EINECS | N/A |
CAS No. | 193686-76-9 | Density | 1.36 g/cm3 |
PSA | 62.83000 | LogP | 4.96600 |
Solubility | N/A | Melting Point |
N/A |
Formula | C17H16ClNO3S | Boiling Point | 536.5 °C at 760 mmHg |
Molecular Weight | 349.838 | Flash Point | 278.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
5H-1-Benzazepin-5-one, 7-chloro-1,2,3,4-tetrahydro-1-[(4-methylphenyl)sulfonyl]-; |
Article Data | 2 |
The 7-Chloro-1-(4-mechirubenzensuruhoniru)-2,3,4,5-tetrahydro-1H-benzo [b] azepine 5-one, with the CAS registry number 193686-76-9, is also known as 5H-1-Benzazepin-5-one, 7-chloro-1,2,3,4-tetrahydro-1-[(4-methylphenyl)sulfonyl]-. This chemical's molecular formula is C17H16ClNO3S and molecular weight is 349.83. What's more, its systematic name is 7-chloro-1-(p-Tolylsulfonyl)-3,4-dihydro-2H-1-benzazepin-5-one.
Physical properties about 7-Chloro-1-(4-mechirubenzensuruhoniru)-2,3,4,5-tetrahydro-1H-benzo [b] azepine 5-one are: (1)ACD/LogP: 4.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.22; (4)ACD/LogD (pH 7.4): 4.22; (5)ACD/BCF (pH 5.5): 948.58; (6)ACD/BCF (pH 7.4): 948.58; (7)ACD/KOC (pH 5.5): 4705.32; (8)ACD/KOC (pH 7.4): 4705.32; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 62.83 Å2; (13)Index of Refraction: 1.619; (14)Molar Refractivity: 90.2 cm3; (15)Molar Volume: 257 cm3; (16)Polarizability: 35.75×10-24 cm3; (17)Surface Tension: 52.8 dyne/cm; (18)Density: 1.36 g/cm3; (19)Flash Point: 278.3 °C; (20)Enthalpy of Vaporization: 81.32 kJ/mol; (21)Boiling Point: 536.5 °C at 760 mmHg; (22)Vapour Pressure: 1.39E-11 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Cc1ccc(cc1)S(=O)(=O)N2CCCC(=O)c3c2ccc(c3)Cl
(2) InChI: InChI=1/C17H16ClNO3S/c1-12-4-7-14(8-5-12)23(21,22)19-10-2-3-17(20)15-11-13(18)6-9-16(15)19/h4-9,11H,2-3,10H2,1H3
(3) InChIKey: UMJJRQXJGYESBD-UHFFFAOYAS