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944904-66-9

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Basic Information
CAS No.: 944904-66-9
Name: (6-Bromo-1h-indazol-3-yl)-acetic acid
Molecular Structure:
Molecular Structure of 944904-66-9 ((6-Bromo-1h-indazol-3-yl)-acetic acid)
Formula: C9H7BrN2O2
Molecular Weight: 253.97
Synonyms: 2-(6-Bromo-1H-indazol-3-yl)acetic acid;1H-Indazole-3-acetic acid, 6-bromo-;
Density: 1.838 g/cm3
Boiling Point: 484.4 °C at 760 mmHg
Flash Point: 246.7 °C
PSA: 65.98000
LogP: 1.95250
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Specification

The (6-Bromo-1h-indazol-3-yl)-acetic acid, with the CAS registry number 944904-66-9, is also known as 1H-Indazole-3-acetic acid, 6-bromo-. This chemical's molecular formula is C9H7BrN2O2 and molecular weight is 253.97. What's more, its systematic name is called 2-(6-Bromo-1H-indazol-3-yl)acetic acid.

Physical properties about (6-Bromo-1h-indazol-3-yl)-acetic acid are: (1)ACD/LogP: 1.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.04; (4)#H bond acceptors: 4; (5)#H bond donors: 2; (6)#Freely Rotating Bonds: 2; (7)Polar Surface Area: 65.98 Å2; (8)Index of Refraction: 1.73; (9)Molar Refractivity: 55.42 cm3; (10)Molar Volume: 138.7 cm3; (11)Surface Tension: 79.1 dyne/cm; (12)Density: 1.838 g/cm3; (13)Flash Point: 246.7 °C; (14)Enthalpy of Vaporization: 78.96 kJ/mol; (15)Boiling Point: 484.4 °C at 760 mmHg; (16)Vapour Pressure: 3.4E-10 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1cc2c(cc1Br)[nH]nc2CC(=O)O
(2) InChI: InChI=1S/C9H7BrN2O2/c10-5-1-2-6-7(3-5)11-12-8(6)4-9(13)14/h1-3H,4H2,(H,11,12)(H,13,14)
(3) InChIKey: DSKLTNRDAAYQDC-UHFFFAOYSA-N