CAS No.3507-27-5,Benzothiazole, 2-chloro-4-methoxy- (6CI,7CI,8CI,9CI) Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3507-27-5
Name:	Benzothiazole, 2-chloro-4-methoxy- (6CI,7CI,8CI,9CI)
Article Data:	7

Formula:	C₈H₆ClNOS
Molecular Weight:	199.661
Synonyms:	2-Chloro-4-methoxybenzothiazole;2-Chloro-4-methoxy-1,3-benzothiazole;
Density:	1.404 g/cm³
Melting Point:	66 °C
Boiling Point:	293.495 °C at 760 mmHg
Flash Point:	131.302 °C
PSA:	50.36000
LogP:	2.95830

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Specification

The Benzothiazole,2-chloro-4-methoxy- is an organic compound with the molecular formula C₈H₆ClNOS. Its CAS registry number is 3507-27-5. The IUPAC name of this chemical is called 2-Chloro-4-methoxy-1,3-benzothiazole. It belongs to the product categoryof Benzothiazole. What's more, the molecular weight of this chemical is 199.66.

Physical properties about Benzothiazole,2-chloro-4-methoxy- are: (1)ACD/LogP: 2.70; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.699; (4)ACD/LogD (pH 7.4): 2.699; (5)ACD/BCF (pH 5.5): 66.307; (6)ACD/BCF (pH 7.4): 66.308; (7)ACD/KOC (pH 5.5): 700.626; (8)ACD/KOC (pH 7.4): 700.628; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 50.36 Å²; (13)Index of Refraction: 1.654; (14)Molar Refractivity: 52.145 cm³; (15)Molar Volume: 142.206 cm³; (16)Polarizability: 20.672×10^-24 cm³; (17)Surface Tension: 51.501 dyne/cm; (18)Density: 1.404 g/cm³; (19)Flash Point: 131.302 °C; (20)Enthalpy of Vaporization: 51.172 kJ/mol; (21)Boiling Point: 293.495 °C at 760 mmHg; (22)Vapour Pressure: 0.003 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1) SMILES: COc1cccc2c1nc(s2)Cl
(2) InChI: InChI=1/C8H6ClNOS/c1-11-5-3-2-4-6-7(5)10-8(9)12-6/h2-4H,1H3
(3) InChIKey: MCCTXJVKIFYBJV-UHFFFAOYAB