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Pyrazine,2-chloro-6-methoxy- (33332-30-8)

Identification
Name:Pyrazine,2-chloro-6-methoxy-
Synonyms:6-Chloro-2-methoxypyrazine;6-Methoxy-2-chloropyrazine;2-Methoxy-6-chloropyrazine;
CAS:33332-30-8
Molecular Formula: C5H5ClN2O
Molecular Weight: 144.56
InChI: InChI=1/C5H5ClN2O/c1-9-5-3-7-2-4(6)8-5/h2-3H,1H3
Molecular Structure: (C5H5ClN2O) 6-Chloro-2-methoxypyrazine;6-Methoxy-2-chloropyrazine;2-Methoxy-6-chloropyrazine;
Properties
Density:1.292g/cm3
Refractive index:1.52
Specification:

The IUPAC name of 2-Chloro-6-methoxypyrazine is 2-Chloro-6-methoxypyrazine. With the CAS registry number 33332-30-8, it is also named as 6-Methoxy-2-chloropyrazine. In addition, its molecular formula is C5H5ClN2O and its molecular weight is 144.56. 

The other characteristics of 2-Chloro-6-methoxypyrazine can be summarized as: (1)ACD/LogP: 1.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.9; (4)ACD/LogD (pH 7.4): 1.9; (5)ACD/BCF (pH 5.5): 16.46; (6)ACD/BCF (pH 7.4): 16.46; (7)ACD/KOC (pH 5.5): 258.47; (8)ACD/KOC (pH 7.4): 258.47; (9)H bond acceptors: 3; (10)H bond donors: 0; (11)Freely Rotating Bonds: 1; (12)Polar Surface Area: 35.01 Å2; (13)Index of Refraction: 1.52; (14)Molar Refractivity: 34 cm3; (15)Molar Volume: 111.8 cm3; (16)Polarizability: 13.48×10-24cm3; (17)Surface Tension: 44 dyne/cm; (18)Density: 1.292 g/cm3; (19)Flash Point: 64.7 °C; (20)Enthalpy of Vaporization: 40.24 kJ/mol; (21)Boiling Point: 183.3 °C at 760 mmHg; (22)Vapour Pressure: 1.06 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:COc1cncc(Cl)n1
(2)InChI:InChI=1/C5H5ClN2O/c1-9-5-3-7-2-4(6)8-5/h2-3H,1H3
(3)InChIKey:XWSSFRJLOZQOCX-UHFFFAOYAK
(4)Std. InChI:InChI=1S/C5H5ClN2O/c1-9-5-3-7-2-4(6)8-5/h2-3H,1H3
(5)Std. InChIKey:XWSSFRJLOZQOCX-UHFFFAOYSA-N

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