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110464-98-7

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Basic Information
CAS No.: 110464-98-7
Name: Pyridine,2-chloro-4-methoxy-3,5-dimethyl-
Molecular Structure:
Molecular Structure of 110464-98-7 (Pyridine,2-chloro-4-methoxy-3,5-dimethyl-)
Formula: C8H10ClNO
Molecular Weight: 171.626
Synonyms: 2-Chloro-3,5-dimethyl-4-methoxy pyridine;
Density: 1.135 g/cm3
Boiling Point: 250.1 °C at 760 mmHg
Flash Point: 105.1 °C
PSA: 22.12000
LogP: 3.16240
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Specification

The Pyridine, 2-chloro-4-methoxy-3, 5-dimethyl-, with the CAS registry number 110464-98-7, is also known as 2-Chloro-3, 5-dimethyl-4-methoxy pyridine. This chemical's molecular formula is C8H10ClNO and molecular weight is 171.62. What's more, its systematic name is 2-Chloro-4-methoxy-3, 5-dimethylpyridine.

Physical properties about Pyridine, 2-chloro-4-methoxy-3, 5-dimethyl- are: (1)ACD/LogP: 2.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.82; (4)ACD/LogD (pH 7.4): 2.82; (5)ACD/BCF (pH 5.5): 82.27; (6)ACD/BCF (pH 7.4): 82.35; (7)ACD/KOC (pH 5.5): 817.36; (8)ACD/KOC (pH 7.4): 818.16; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 22.12 Å2; (13)Index of Refraction: 1.514; (14)Molar Refractivity: 45.56 cm3; (15)Molar Volume: 151.1 cm3; (16)Polarizability: 18.06×10-24 cm3; (17)Surface Tension: 35.6 dyne/cm; (18)Density: 1.135 g/cm3; (19)Flash Point: 105.1 °C; (20)Enthalpy of Vaporization: 46.76 kJ/mol; (21)Boiling Point: 250.1 °C at 760 mmHg; (22)Vapour Pressure: 0.035 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Cc1c(OC)c(C)cnc1Cl
(2) InChI: InChI=1/C8H10ClNO/c1-5-4-10-8(9)6(2)7(5)11-3/h4H,1-3H3
(3) InChIKey: QXMOXSSBNNOMEC-UHFFFAOYAW