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CAS No.: | 102735-84-2 |
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Name: | 5-CHLORO INDAZOLE-3-CARBOXALDEHYDE |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C8H5ClN2O |
Molecular Weight: | 180.593 |
Synonyms: | 5-Chloro-1H-indazole-3-carboxaldehyde; |
EINECS: | 1806241-263-5 |
Density: | 1.521 g/cm3 |
Boiling Point: | 391.695 °C at 760 mmHg |
Flash Point: | 190.691 °C |
PSA: | 45.75000 |
LogP: | 2.02880 |
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This chemical is called 5-Chloroindazole-3-carboxaldehyde, and it can also be named as 1H-indazole-3-carboxaldehyde, 5-chloro-. With the molecular formula of C8H5ClN2O, its molecular weight is 180.59. The CAS registry number of this chemical is 102735-84-2, and its product categories is Indazole.
Other characteristics of the 5-Chloroindazole-3-carboxaldehyde can be summarised as followings: (1)ACD/LogP: 2.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 15; (6)ACD/BCF (pH 7.4): 15; (7)ACD/KOC (pH 5.5): 238; (8)ACD/KOC (pH 7.4): 238; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 45.75 Å2; (13)Index of Refraction: 1.748; (14)Molar Refractivity: 48.268 cm3; (15)Molar Volume: 118.712 cm3; (16)Polarizability: 19.135×10-24cm3; (17)Surface Tension: 71.986 dyne/cm; (18)Density: 1.521 g/cm3; (19)Flash Point: 190.691 °C; (20)Enthalpy of Vaporization: 64.134 kJ/mol; (21)Boiling Point: 391.695 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Clc1cc2c(cc1)nnc2C=O
2.InChI: InChI=1/C8H5ClN2O/c9-5-1-2-7-6(3-5)8(4-12)11-10-7/h1-4H,(H,10,11)
3.InChIKey: XQELXOTYHCBYAI-UHFFFAOYAF
4.Std. InChI: InChI=1S/C8H5ClN2O/c9-5-1-2-7-6(3-5)8(4-12)11-10-7/h1-4H,(H,10,11)