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1H-Indazole,3-bromo-5-chloro- (885521-43-7)

Identification
Name:1H-Indazole,3-bromo-5-chloro-
Synonyms:3-BROMO-5-CHLORO (1H)INDAZOLE
CAS:885521-43-7
Molecular Formula: C7H4BrClN2
Molecular Weight: 231.48
InChI: InChI=1/C7H4BrClN2/c8-7-5-3-4(9)1-2-6(5)10-11-7/h1-3H,(H,10,11)
Molecular Structure: (C7H4BrClN2) 3-BROMO-5-CHLORO (1H)INDAZOLE
Properties
Density:1.878
Refractive index:1.73
Specification:

The 3-Bromo-5-chloro-1H-indazole, with CAS registry number 885521-43-7, has the systematic name of 1H-indazole, 3-bromo-5-chloro-. Besides this, it is also called 3-Bromo-5-chloro-1H-indazole. And the chemical formula of this chemical is C7H4BrClN2.

Physical properties of 3-Bromo-5-chloro-1H-indazole: (1)ACD/LogP: 3.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.19; (4)ACD/LogD (pH 7.4): 3.19; (5)ACD/BCF (pH 5.5): 155.58; (6)ACD/BCF (pH 7.4): 155.49; (7)ACD/KOC (pH 5.5): 1290.05; (8)ACD/KOC (pH 7.4): 1289.3; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 28.68 Å2; (13)Index of Refraction: 1.73; (14)Molar Refractivity: 49.2 cm3; (15)Molar Volume: 123.2 cm3; (16)Polarizability: 19.5×10-24cm3; (17)Surface Tension: 65.9 dyne/cm; (18)Enthalpy of Vaporization: 59.09 kJ/mol; (19)Vapour Pressure: 2.7E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c(cc1Cl)c(n[nH]2)Br
(2)InChI: InChI=1/C7H4BrClN2/c8-7-5-3-4(9)1-2-6(5)10-11-7/h1-3H,(H,10,11)
(3)InChIKey: IYZOMWYZWTZTEQ-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C7H4BrClN2/c8-7-5-3-4(9)1-2-6(5)10-11-7/h1-3H,(H,10,11)
(5)Std. InChIKey: IYZOMWYZWTZTEQ-UHFFFAOYSA-N

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