Benzenesulfonylchloride, 3-acetyl- (73035-16-2)

The 3-Acetylbenzenesulfonyl chloride, with CAS registry number 73035-16-2, belongs to the following product category: Sulfonylhalide. It has the systematic name of 3-acetylbenzenesulfonyl chloride. Besides this, it is also called Benzenesulfonyl chloride, 3-acetyl-. And the chemical formula of tihs chemical is C₈H₇ClO₃S.

Physical properties of 3-Acetylbenzenesulfonyl chloride: (1)ACD/LogP: 1.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.83; (4)ACD/LogD (pH 7.4): 1.83; (5)ACD/BCF (pH 5.5): 14.58; (6)ACD/BCF (pH 7.4): 14.58; (7)ACD/KOC (pH 5.5): 236.94; (8)ACD/KOC (pH 7.4): 236.94; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 59.59 Å²; (13)Index of Refraction: 1.544; (14)Molar Refractivity: 49.77 cm³; (15)Molar Volume: 157.6 cm³; (16)Polarizability: 19.73×10^-24cm³; (17)Surface Tension: 43.8 dyne/cm; (18)Enthalpy of Vaporization: 59.12 kJ/mol; (19)Vapour Pressure: 5.54E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(Cl)(=O)c1cc(C(=O)C)ccc1
(2)InChI: InChI=1/C8H7ClO3S/c1-6(10)7-3-2-4-8(5-7)13(9,11)12/h2-5H,1H3
(3)InChIKey: CGMBNEIGZOCPPP-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C8H7ClO3S/c1-6(10)7-3-2-4-8(5-7)13(9,11)12/h2-5H,1H3
(5)Std. InChIKey: CGMBNEIGZOCPPP-UHFFFAOYSA-N