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CAS No.: | 845751-70-4 |
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Name: | 7-Bromo-2-methyl-2H-indazole-3-carbaldehyde |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C9H7BrN2O |
Molecular Weight: | 239.071 |
Synonyms: | 7-Bromo-2-methyl-2H-indazole-3-carbaldehyde;7-Bromo-2-methyl-indazole-3-carbaldehyde; |
Density: | 1.65 g/cm3 |
Boiling Point: | 397.845 °C at 760 mmHg |
Flash Point: | 194.41 °C |
Appearance: | intermediate in orgaic syntheses |
PSA: | 34.89000 |
LogP: | 2.14830 |
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The 2H-Indazole-3-carboxaldehyde, 7-bromo-2-methyl-, with the CAS registry number 845751-70-4, is also known as 7-Bromo-2-methyl-2H-indazole-3-carbaldehyde. This chemical's molecular formula is C9H7BrN2O and molecular weight is 239.07. What's more, its systematic name is 7-Bromo-2-methyl-indazole-3-carbaldehyde.
Physical properties of 2H-Indazole-3-carboxaldehyde, 7-bromo-2-methyl- are: (1)ACD/LogP: 2.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.302; (4)ACD/LogD (pH 7.4): 2.302; (5)ACD/BCF (pH 5.5): 33.098; (6)ACD/BCF (pH 7.4): 33.098; (7)ACD/KOC (pH 5.5): 426.083; (8)ACD/KOC (pH 7.4): 426.083; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 34.89 Å2; (13)Index of Refraction: 1.671; (14)Molar Refractivity: 54.155 cm3; (15)Molar Volume: 144.872 cm3; (16)Polarizability: 21.469×10-24 cm3; (17)Surface Tension: 51.355 dyne/cm; (18)Density: 1.65 g/cm3; (19)Flash Point: 194.41 °C; (20)Enthalpy of Vaporization: 64.834 kJ/mol; (21)Boiling Point: 397.845 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CN1C(=C2C=CC=C(C2=N1)Br)C=O
(2)InChI: InChI=1S/C9H7BrN2O/c1-12-8(5-13)6-3-2-4-7(10)9(6)11-12/h2-5H,1H3
(3)InChIKey: NSLRTSWDWSKOIE-UHFFFAOYSA-N