CAS No.1150618-06-6,3-Bromo-2-iodo-4-methyl-5-nitropyridine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1150618-06-6
Name:	3-Bromo-2-iodo-4-methyl-5-nitropyridine

Formula:	C₆H₄BrIN₂O₂
Molecular Weight:	342.9166
Synonyms:	3-Bromo-2-iodo-4-methyl-5-nitro-pyridine;
EINECS:	200-589-5
Density:	2.301 g/cm³
Boiling Point:	349.426 °C at 760 mmHg
Flash Point:	165.127 °C
PSA:	58.71000
LogP:	3.18850

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Specification

The 3-Bromo-2-iodo-4-methyl-5-nitropyridine has CAS registry number 1150618-06-6. In addition, this chemical's molecular formula is C₆H₄BrIN₂O₂ and molecular weight is 342.9166. What's more, its systematic name is 3-Bromo-2-iodo-4-methyl-5-nitro-pyridine.

Physical properties about 3-Bromo-2-iodo-4-methyl-5-nitropyridine are: (1)ACD/LogP: 3.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.112; (4)ACD/LogD (pH 7.4): 3.112; (5)ACD/BCF (pH 5.5): 136.429; (6)ACD/BCF (pH 7.4): 136.429; (7)ACD/KOC (pH 5.5): 1174.288; (8)ACD/KOC (pH 7.4): 1174.288; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 58.71 Å²; (13)Index of Refraction: 1.68; (14)Molar Refractivity: 56.312 cm³; (15)Molar Volume: 149.031 cm³; (16)Polarizability: 22.324×10^-24 cm³; (17)Surface Tension: 63.473 dyne/cm; (18)Density: 2.301 g/cm³; (19)Flash Point: 165.127 °C; (20)Enthalpy of Vaporization: 57.046 kJ/mol; (21)Boiling Point: 349.426 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Cc1c(cnc(c1Br)I)[N+](=O)[O-]
(2) InChI: InChI=1/C6H4BrIN2O2/c1-3-4(10(11)12)2-9-6(8)5(3)7/h2H,1H3
(3) InChIKey: KXROEPJGNKPOQG-UHFFFAOYAD