The Nitrocaphanum, with CAS registry number 86010-32-4, has the systematic name of 5-nitro-1-benzothiophene-2-carbonyl chloride. Its molecular weight is 241.65. And the chemical formula of this chemical is C₉H₄ClNO₃S.

Physical properties of Nitrocaphanum: (1)ACD/LogP: 2.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.91; (4)ACD/LogD (pH 7.4): 2.91; (5)ACD/BCF (pH 5.5): 96.06; (6)ACD/BCF (pH 7.4): 96.06; (7)ACD/KOC (pH 5.5): 913.5; (8)ACD/KOC (pH 7.4): 913.5; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 91.13 Å²; (13)Index of Refraction: 1.712; (14)Molar Refractivity: 59.26 cm³; (15)Molar Volume: 151.2 cm³; (16)Polarizability: 23.49×10^-24cm³; (17)Surface Tension: 67.4 dyne/cm; (18)Density: 1.597 g/cm³; (19)Flash Point: 196.7 °C; (20)Enthalpy of Vaporization: 65.28 kJ/mol; (21)Boiling Point: 401.7 °C at 760 mmHg; (22)Vapour Pressure: 1.16E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c2cc1c(sc(c1)C(Cl)=O)cc2
(2)InChI: InChI=1/C9H4ClNO3S/c10-9(12)8-4-5-3-6(11(13)14)1-2-7(5)15-8/h1-4H
(3)InChIKey: KOJDFXDLYGKDEK-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C9H4ClNO3S/c10-9(12)8-4-5-3-6(11(13)14)1-2-7(5)15-8/h1-4H
(5)Std. InChIKey: KOJDFXDLYGKDEK-UHFFFAOYSA-N