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1H-Indazole,4-iodo-1-methyl-

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Name

1H-Indazole,4-iodo-1-methyl-

EINECS
CAS No. 935661-15-7 Density 1.892 g/cm3
Solubility Melting Point
Formula C8H7IN2 Boiling Point 318.45 °C at 760 mmHg
Molecular Weight 258.06 Flash Point 146.393 °C
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Safety Risk Codes
Molecular Structure Molecular Structure of 935661-15-7 (1H-Indazole,4-iodo-1-methyl-) Hazard Symbols
Synonyms

4-iodo-1-methyl-indazole;935661-15-7;

 

1H-Indazole,4-iodo-1-methyl- Specification

The 1H-Indazole,4-iodo-1-methyl- has the CAS registry number 935661-15-7. This chemical's molecular formula is C8H7IN2 and molecular weight is 258.06. What's more, its systematic name is 4-iodo-1-methyl-indazole.

Physical properties of 1H-Indazole,4-iodo-1-methyl- are: (1)ACD/LogP: 3.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.073; (4)ACD/LogD (pH 7.4): 3.073; (5)ACD/BCF (pH 5.5): 127.431; (6)ACD/BCF (pH 7.4): 127.432; (7)ACD/KOC (pH 5.5): 1118.319; (8)ACD/KOC (pH 7.4): 1118.324; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 17.82 Å2; (13)Index of Refraction: 1.718; (14)Molar Refractivity: 53.79 cm3; (15)Molar Volume: 136.428 cm3; (16)Polarizability: 21.324×10-24 cm3; (17)Surface Tension: 49.973 dyne/cm; (18)Density: 1.892 g/cm3; (19)Flash Point: 146.393 °C; (20)Enthalpy of Vaporization: 53.766 kJ/mol; (21)Boiling Point: 318.45 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: Cn1c2cccc(c2cn1)I
(2)InChI: InChI=1/C8H7IN2/c1-11-8-4-2-3-7(9)6(8)5-10-11/h2-5H,1H3
(3)InChIKey: UAOIHDMXVVPOAZ-UHFFFAOYAU

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