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4-Iodo-1H-indazole

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Name

4-Iodo-1H-indazole

EINECS N/A
CAS No. 885522-11-2 Density 2.083 g/cm3
PSA 28.68000 LogP 2.16750
Solubility N/A Melting Point 208℃
Formula C7H5IN2 Boiling Point 358.187 °C at 760 mmHg
Molecular Weight 244.03 Flash Point 170.426 °C
Transport Information N/A Appearance N/A
Safety 26 Risk Codes 22-36/37/38
Molecular Structure Molecular Structure of 885522-11-2 (4-IODO (1H)INDAZOLE) Hazard Symbols Xn
Synonyms

1H-indazole, 4-iodo-;4-Iodo-1H-indazole;LogP

Article Data 7

4-Iodo-1H-indazole Specification

This chemical is called 4-Iodo-1H-indazole, and it's also named as 1H-indazole, 4-iodo-. With the molecular formula of C7H5IN2, its molecular weight is 244.03. The CAS registry number of this chemical is 885522-11-2.

Other characteristics of the 4-Iodo-1H-indazole can be summarised as followings: (1)ACD/LogP: 2.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.919; (4)ACD/LogD (pH 7.4): 2.919; (5)ACD/BCF (pH 5.5): 97.313; (6)ACD/BCF (pH 7.4): 97.314; (7)ACD/KOC (pH 5.5): 922.026; (8)ACD/KOC (pH 7.4): 922.033; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 28.68 Å2; (13)Index of Refraction: 1.788; (14)Molar Refractivity: 49.527 cm3; (15)Molar Volume: 117.168 cm3; (16)Polarizability: 19.634×10-24cm3; (17)Surface Tension: 71.296 dyne/cm; (18)Density: 2.083 g/cm3; (19)Flash Point: 170.426 °C; (20)Enthalpy of Vaporization: 57.986 kJ/mol; (21)Boiling Point: 358.187 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: c1cc2c(cn[nH]2)c(c1)I
2.InChI: InChI=1/C7H5IN2/c8-6-2-1-3-7-5(6)4-9-10-7/h1-4H,(H,9,10)
3.InChIKey: CJQXSPSUIGJNJX-UHFFFAOYAE

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