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| CAS No.: | 885521-43-7 |
|---|---|
| Name: | 3-Bromo-5-chloro-1H-indazole |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C7H4BrClN2 |
| Molecular Weight: | 231.479 |
| Synonyms: | 3-BROMO-5-CHLORO (1H)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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- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
- 90221-55-92-bromo-5-methylbenzaldehyde
- 885590-99-82,3-DIFLUORO-4-IODOBENZALDEHYDE
- 97730-31-9(S)-4'-(2-Methylbutyl)Biphenyl-4-Carbonitrile
- 926293-55-26-Bromo-2-methylpyridine-3-carboxaldehyde
- 911112-05-55-Iodo-3-(trifluoromethyl)-2-pyridinamine
- 886364-50-71-(5-Bromo-2-pyridinyl)-2,2,2-trifluoroethanone
- Total:21 Page 1 of 1 1
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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