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31270-81-2

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Basic Information
CAS No.: 31270-81-2
Name: 4-Chloro-2-methylfuro[3,2-c]pyridine
Molecular Structure:
Molecular Structure of 31270-81-2 (4-Chloro-2-methylfuro[3,2-c]pyridine)
Formula: C8H6ClNO
Molecular Weight: 167.5923
Synonyms: 4-CHLORO-2-METHYLFURO[3,2-C]PYRIDINE
Density: 1.311 g/cm3
Boiling Point: 240.379 °C at 760 mmHg
Flash Point: 99.178 °C
PSA: 26.03000
LogP: 2.78960
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Specification

The IUPAC name of this chemical is 4-Chloro-2-methylfuro[3,2-c]pyridine. It has CAS registry number 31270-81-2. In addition, its molecular formula is C8H6ClNO and molecular weight is 167.5923.

Physical properties about the 4-Chloro-2-methylfuro[3,2-c]pyridine are: (1)ACD/LogP: 2.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 33; (6)ACD/BCF (pH 7.4): 33; (7)ACD/KOC (pH 5.5): 429; (8)ACD/KOC (pH 7.4): 430; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 26.03 Å2; (13)Index of Refraction: 1.608; (14)Molar Refractivity: 44.206 cm3; (15)Molar Volume: 127.793 cm3; (16)Surface Tension: 45.965 dyne/cm; (17)Density: 1.311 g/cm3; (18)Flash Point: 99.178 °C; (19)Enthalpy of Vaporization: 45.795 kJ/mol; (20)Boiling Point: 240.379 °C at 760 mmHg; (21)Vapour Pressure: 0.059 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc2nccc1oc(cc12)C
(2) InChI: InChI=1/C8H6ClNO/c1-5-4-6-7(11-5)2-3-10-8(6)9/h2-4H,1H3
(3) InChIKey: LRXMMHCYTFNTEL-UHFFFAOYAS