CAS No.1077-97-0,5-IODO-1H-INDAZOLE-3-CARBOXYLIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1077-97-0
Name:	5-IODO-1H-INDAZOLE-3-CARBOXYLIC ACID
Article Data:	7

Formula:	C₈H₅IN₂O₂
Molecular Weight:	288.042
Synonyms:	5-Iodo-1H-indazole-3-carboxylicacid;5-Iodoindazole-3-carboxylic acid;
Density:	2.221 g/cm³
Melting Point:	375℃
Boiling Point:	512.118 °C at 760 mmHg
Flash Point:	263.52 °C
PSA:	65.98000
LogP:	1.86570

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Specification

The 1H-Indazole-3-carboxylicacid, 5-iodo-, with the CAS registry number 1077-97-0, has the systmatic name of 5-iodo-1H-indazole-3-carboxylic acid. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of this chemical is C₈H₅IN₂O₂.

The physical properties of 1H-Indazole-3-carboxylicacid, 5-iodo- are as following: (1)ACD/LogP: 3.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): ; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 65.98 Å²; (13)Index of Refraction: 1.82; (14)Molar Refractivity: 56.457 cm³; (15)Molar Volume: 129.698 cm³; (16)Polarizability: 22.381×10^-24cm³; (17)Surface Tension: 92.842 dyne/cm; (18)Density: 2.221 g/cm³; (19)Flash Point: 263.52 °C; (20)Enthalpy of Vaporization: 82.467 kJ/mol; (21)Boiling Point: 512.118 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)c2nnc1ccc(I)cc12
(2)InChI: OC(=O)c2nnc1ccc(I)cc12
(3)InChIKey: VRWNCSJMDOUQJT-UHFFFAOYAO