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885271-78-3

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Basic Information
CAS No.: 885271-78-3
Name: 6-BROMO-3-CHLORO-1H-INDAZOLE
Article Data: 2
Molecular Structure:
Molecular Structure of 885271-78-3 (6-BROMO-3-CHLORO-1H-INDAZOLE)
Formula: C7H4BrClN2
Molecular Weight: 231.479
Synonyms: ZINC14984927;6-bromo-3-chloro-2H-indazole;
Density: 1.878 g/cm3
Boiling Point: 368.5 °C at 760 mmHg
Flash Point: 176.6 °C
PSA: 28.68000
LogP: 2.97880
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Specification

The 1H-Indazole,6-bromo-3-chloro-, with the CAS registry number 885271-78-3, is also known as ZINC14984927. It belongs to the product categories of Building Blocks; Indazole. This chemical's molecular formula is C7H4BrClN2 and molecular weight is 231.47706. Its IUPAC name is called 6-bromo-3-chloro-2H-indazole.

Physical properties of 1H-Indazole,6-bromo-3-chloro-: (1)ACD/LogP: 3.19; (2)ACD/LogD (pH 5.5): 3.19; (3)ACD/LogD (pH 7.4): 3.19; (4)#H bond acceptors: 2; (5)#H bond donors: 1; (6)Index of Refraction: 1.73; (7)Molar Refractivity: 49.2 cm3; (8)Molar Volume: 123.2 cm3; (9)Surface Tension: 65.9 dyne/cm; (10)Density: 1.878 g/cm3; (11)Flash Point: 176.6 °C; (12)Enthalpy of Vaporization: 59.09 kJ/mol; (13)Boiling Point: 368.5 °C at 760 mmHg; (14)Vapour Pressure: 2.7E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC2=C(NN=C2C=C1Br)Cl
(2)InChI: InChI=1S/C7H4BrClN2/c8-4-1-2-5-6(3-4)10-11-7(5)9/h1-3H,(H,10,11)
(3)InChIKey: LDBXLSQSRZCYHL-UHFFFAOYSA-N