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| CAS No.: | 94231-78-4 |
|---|---|
| Name: | 10H-pyrido[3,2-b][1,4]benzothiazine-10-carbonyl chloride |
| Molecular Structure: | |
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| Formula: | C12H7ClN2OS |
| Molecular Weight: | 262.719 |
| Synonyms: | Pyrido[3,2-b][1,4]benzothiazine-10-carbonyl chloride;10H-Pyrido[3,2-b][1,4]benzothiazine-10-carboxylic acid chloride; |
| EINECS: | 303-899-0 |
| Density: | 1.492 g/cm3 |
| Boiling Point: | 443.3 °C at 760 mmHg |
| Flash Point: | 221.9 °C |
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Specification
The 10H-Pyrido[3,2-b][1,4]benzothiazine-10-carbonylchloride, with the CAS registry number 94231-78-4, is also known as 10H-Pyrido[3,2-b][1,4]benzothiazine-10-carboxylic acid chloride. Its EINECS number is 303-899-0. This chemical's molecular formula is C12H7ClN2OS and molecular weight is 262.71. What's more, its systematic name is 10H-Pyrido[3,2-b][1,4]benzothiazine-10-carbonyl chloride.
Physical properties of 10H-Pyrido[3,2-b][1,4]benzothiazine-10-carbonylchloride are: (1)ACD/LogP: 2.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.56; (4)ACD/LogD (pH 7.4): 2.56; (5)ACD/BCF (pH 5.5): 52.25; (6)ACD/BCF (pH 7.4): 52.27; (7)ACD/KOC (pH 5.5): 590.72; (8)ACD/KOC (pH 7.4): 590.96; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 58.5 Å2; (13)Index of Refraction: 1.705; (14)Molar Refractivity: 68.42 cm3; (15)Molar Volume: 175.9 cm3; (16)Polarizability: 27.12×10-24 cm3; (17)Surface Tension: 66.6 dyne/cm; (18)Density: 1.492 g/cm3; (19)Flash Point: 221.9 °C; (20)Enthalpy of Vaporization: 70.09 kJ/mol; (21)Boiling Point: 443.3 °C at 760 mmHg ; (22)Vapour Pressure: 4.68E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C2C(=C1)N(C3=C(S2)C=CC=N3)C(=O)Cl
(2)InChI: InChI=1S/C12H7ClN2OS/c13-12(16)15-8-4-1-2-5-9(8)17-10-6-3-7-14-11(10)15/h1-7H
(3)InChIKey: JBXLULDASFBHLX-UHFFFAOYSA-N