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1094713-89-9

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Basic Information
CAS No.: 1094713-89-9
Name: Benzenesulfonylchloride, 3-(1H-tetrazol-1-yl)-
Molecular Structure:
Molecular Structure of 1094713-89-9 (Benzenesulfonylchloride, 3-(1H-tetrazol-1-yl)-)
Formula: C7H5ClN4O2S
Molecular Weight: 244.661
Synonyms: 3-(Tetrazol-1-yl)benzenesulfonyl chloride;
Density: 1.713 g/cm3
Boiling Point: 439.952 °C at 760 mmHg
Flash Point: 219.875 °C
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Specification

The CAS registry number of Benzenesulfonylchloride, 3-(1H-tetrazol-1-yl)- is 1094713-89-9. This chemical is also named as 3-(1H-Tetrazol-1-yl)benzene-1-sulfonyl chloride. In addition, its molecular formula is C7H5ClN4O2S and molecular weight is 244.6582. Its systematic name is called 3-(tetrazol-1-yl)benzenesulfonyl chloride.

Physical properties about Benzenesulfonylchloride, 3-(1H-tetrazol-1-yl)- are: (1)ACD/LogP: 0.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.533; (4)ACD/LogD (pH 7.4): 0.533; (5)ACD/BCF (pH 5.5): 1.496; (6)ACD/BCF (pH 7.4): 1.496; (7)ACD/KOC (pH 5.5): 46.438; (8)ACD/KOC (pH 7.4): 46.439; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.733; (13)Molar Refractivity: 57.177 cm3; (14)Molar Volume: 142.834 cm3; (15)Surface Tension: 73.632 dyne/cm; (16)Density: 1.713 g/cm3; (17)Flash Point: 219.875 °C; (18)Enthalpy of Vaporization: 69.7 kJ/mol; (19)Boiling Point: 439.952 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(cc(c1)S(=O)(=O)Cl)n2cnnn2
(2)InChI: InChI=1/C7H5ClN4O2S/c8-15(13,14)7-3-1-2-6(4-7)12-5-9-10-11-12/h1-5H
(3)InChIKey: YWKSERGXGNTVFA-UHFFFAOYAZ