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CAS No.: | 1000343-46-3 |
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Name: | 4-BROMO-3-CHLORO [1H]INDAZOLE |
Molecular Structure: | |
Formula: | C7H4BrClN2 |
Molecular Weight: | 231.47706 |
Synonyms: | 4-BROMO-3-CHLORO [1H]INDAZOLE;1H-INDAZOLE,4-BROMO-3-CHLORO- |
Density: | 1.878g/cm3 |
Boiling Point: | 368.456 °C at 760 mmHg |
Flash Point: | 176.636 °C |
PSA: | 28.68000 |
LogP: | 2.97880 |
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The 4-bromo-3-chloro [1H]indazole, with CAS registry number 1000343-46-3, belongs to the following product categories: (1) Building Blocks; (2)Indazole. It has the systematic name of 4-bromo-3-chloro-1H-indazole. And the chemical formula of this chemical is C7H4BrClN2.
Physical properties of 4-Bromo-3-chloro [1H]indazole: (1)ACD/LogP: 3.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.191; (4)ACD/LogD (pH 7.4): 3.191; (5)ACD/BCF (pH 5.5): 156.839; (6)ACD/BCF (pH 7.4): 156.765; (7)ACD/KOC (pH 5.5): 1297.52; (8)ACD/KOC (pH 7.4): 1296.903; (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: 49.205 cm3; (15)Molar Volume: 123.231 cm3; (16)Polarizability: 19.506×10-24cm3; (17)Surface Tension: 65.987 dyne/cm; (18)Density: 1.878 g/cm3; (19)Flash Point: 176.636 °C; (20)Enthalpy of Vaporization: 59.094 kJ/mol; (21)Boiling Point: 368.456 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c(c(c1)Br)c(n[nH]2)Cl
(2)InChI: InChI=1/C7H4BrClN2/c8-4-2-1-3-5-6(4)7(9)11-10-5/h1-3H,(H,10,11)
(3)InChIKey: VEZIBLSUFZJVBD-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C7H4BrClN2/c8-4-2-1-3-5-6(4)7(9)11-10-5/h1-3H,(H,10,11)
(5)Std. InChIKey: VEZIBLSUFZJVBD-UHFFFAOYSA-N