CAS No.21413-23-0,6-AMINO-3-CHLORO (1H)INDAZOLE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	21413-23-0
Name:	6-AMINO-3-CHLORO (1H)INDAZOLE
Article Data:	6

Formula:	C₇H₆ClN₃
Molecular Weight:	167.598
Synonyms:	3-Chloro-1H-indazole-6-ylamine;
Density:	1.533 g/cm³
Boiling Point:	408.704 °C at 760 mmHg
Flash Point:	200.977 °C
Solubility:	Sparingly soluble in water (0.62 g/L at 25°C).
PSA:	54.70000
LogP:	2.37970

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Specification

The 1H-Indazol-6-amine,3-chloro-, with the CAS registry number of 21413-23-0, is also known as 3-Chloro-1H-indazole-6-ylamine. It belongs to the product categories of Chiral chemicals; Amines; Fused Ring Systems. This chemical's molecular formula is C₇H₆ClN₃ and molecular weight is 167.6. What's more, its systematic name is 3-Chloro-1H-indazol-6-amine.

Physical properties about the 1H-Indazol-6-amine,3-chloro- are: (1)ACD/LogP: 1.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/BCF (pH 5.5): 4; (5)ACD/BCF (pH 7.4): 4; (6)ACD/KOC (pH 5.5): 98; (7)ACD/KOC (pH 7.4): 98; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 54.7 Å²; (12)Index of Refraction: 1.777; (13)Molar Refractivity: 45.751 cm³; (14)Molar Volume: 109.326 cm³; (15)Surface Tension: 79.609 dyne/cm; (16)Density: 1.533 g/cm³; (17)Flash Point: 200.977 °C; (18)Enthalpy of Vaporization: 66.077 kJ/mol; (19)Boiling Point: 408.704 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Nc1ccc2c(c1)nnc2Cl
(2) InChI: InChI=1/C7H6ClN3/c8-7-5-2-1-4(9)3-6(5)10-11-7/h1-3H,9H2,(H,10,11)
(3) InChIKey: DRRARKIFTNKQDW-UHFFFAOYAF