The 2-Amino-5-bromopyridine-3-sulfonyl chloride, with CAS registry number 868963-98-8, has the systematic name of pyridine-3-sulfonyl chloride. Besides this, it is also called 3-Pyridinesulfonyl chloride. And the chemical formula of this chemical is C5H4BrClN2O2S.
Physical properties of 2-Amino-5-bromopyridine-3-sulfonyl chloride: (1)ACD/LogP: 0.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.5; (4)ACD/LogD (pH 7.4): 0.5; (5)ACD/BCF (pH 5.5): 1.4; (6)ACD/BCF (pH 7.4): 1.4; (7)ACD/KOC (pH 5.5): 44.29; (8)ACD/KOC (pH 7.4): 44.29; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 55.41 Å2; (13)Index of Refraction: 1.553; (14)Molar Refractivity: 38.19 cm3; (15)Molar Volume: 119.3 cm3; (16)Polarizability: 15.14×10-24cm3; (17)Surface Tension: 50.2 dyne/cm; (18)Enthalpy of Vaporization: 50.21 kJ/mol; (19)Vapour Pressure: 0.00519 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(Cl)c1cccnc1
(2)InChI: InChI=1/C5H4ClNO2S/c6-10(8,9)5-2-1-3-7-4-5/h1-4H
(3)InChIKey: CDRNYKLYADJTMN-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C5H4ClNO2S/c6-10(8,9)5-2-1-3-7-4-5/h1-4H
(5)Std. InChIKey: CDRNYKLYADJTMN-UHFFFAOYSA-N
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