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599183-35-4

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Basic Information
CAS No.: 599183-35-4
Name: I90103
Molecular Structure:
Molecular Structure of 599183-35-4 (I90103)
Formula: C7H5ClN2O2S
Molecular Weight: 216.6448
Synonyms: AC1Q3VLS;
Density: 1.644 g/cm3
Boiling Point: 419.385 °C at 760 mmHg
Flash Point: 207.437 °C
PSA: 71.20000
LogP: 2.57120
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Specification

The 1H-Indazole-5-sulfonylchloride, with the CAS registry number 599183-35-4, is also known as AC1Q3VLS. This chemical's molecular formula is C7H5ClN2O2S and molecular weight is 216.6448. Its IUPAC name is called 1H-indazole-5-sulfonyl chloride.

Physical properties of 1H-Indazole-5-sulfonylchloride: (1)ACD/LogP: 0.99; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 10; (5)ACD/BCF (pH 7.4): 9; (6)ACD/KOC (pH 5.5): 174; (7)ACD/KOC (pH 7.4): 174; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.678; (12)Molar Refractivity: 49.682 cm3; (13)Molar Volume: 131.751 cm3; (14)Surface Tension: 72.162 dyne/cm; (15)Density: 1.644 g/cm3; (16)Flash Point: 207.437 °C; (17)Enthalpy of Vaporization: 64.698 kJ/mol; (18)Boiling Point: 419.385 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC2=C(C=C1S(=O)(=O)Cl)C=NN2
(2)InChI: InChI=1S/C7H5ClN2O2S/c8-13(11,12)6-1-2-7-5(3-6)4-9-10-7/h1-4H,(H,9,10)
(3)InChIKey: OHNCNPVNTFTJLX-UHFFFAOYSA-N