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1H-Indazole-3-carboxylicacid, 5-iodo-

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Name

1H-Indazole-3-carboxylicacid, 5-iodo-

EINECS N/A
CAS No. 1077-97-0 Density 2.221 g/cm3
PSA 65.98000 LogP 1.86570
Solubility N/A Melting Point 375℃
Formula C8H5IN2O2 Boiling Point 512.118 °C at 760 mmHg
Molecular Weight 288.042 Flash Point 263.52 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 1077-97-0 (5-IODO-1H-INDAZOLE-3-CARBOXYLIC ACID) Hazard Symbols N/A
Synonyms

5-Iodo-1H-indazole-3-carboxylicacid;5-Iodoindazole-3-carboxylic acid;

Article Data 7

1H-Indazole-3-carboxylicacid, 5-iodo- 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

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