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34671-29-9

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Basic Information
CAS No.: 34671-29-9
Name: 2-Iodo-1-methylpyrrole
Article Data: 4
Molecular Structure:
Molecular Structure of 34671-29-9 (2-Iodo-1-methylpyrrole)
Formula: C5H6IN
Molecular Weight: 207.014
Synonyms: 1-Methyl-2-iodopyrrole;2-Iodo-1-methylpyrrole;
Density: 1.856 g/cm3
Boiling Point: 206.629 °C at 760 mmHg
Flash Point: 78.767 °C
PSA: 4.93000
LogP: 1.62970
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Specification

The 1H-Pyrrole,2-iodo-1-methyl-, with the CAS registry number 34671-29-9, is also known as 1-Methyl-2-iodopyrrole. It belongs to the product category of Benzenes. This chemical's molecular formula is C5H6IN and molecular weight is 207.01. What's more, its systematic name is 2-iodo-1-methyl-pyrrole.

Physical properties of 1H-Pyrrole,2-iodo-1-methyl- are: (1)ACD/LogP: 2.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.499; (4)ACD/BCF (pH 5.5): 46.712; (5)ACD/KOC (pH 5.5): 545.244; (6)#H bond acceptors: 1; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 0; (9)Polar Surface Area: 4.93 Å2; (10)Index of Refraction: 1.625; (11)Molar Refractivity: 39.458 cm3; (12)Molar Volume: 111.546 cm3; (13)Polarizability: 15.642×10-24cm3; (14)Surface Tension: 40.809 dyne/cm; (15)Density: 1.856 g/cm3; (16)Flash Point: 78.767 °C; (17)Enthalpy of Vaporization: 42.48 kJ/mol; (18)Boiling Point: 206.629 °C at 760 mmHg; (19)Vapour Pressure: 0.337 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cn1cccc1I
(2)InChI: InChI=1S/C5H6IN/c1-7-4-2-3-5(7)6/h2-4H,1H3
(3)InChIKey: OVUKRIWLBFTBER-UHFFFAOYSA-N