6-Nitroindole-3-carboxylic acid supplier

Name
6-NITROINDOLE-3-CARBOXYLIC ACID
EINECS
CAS No. 10242-03-2
Article Data8
CAS DataBase
Density 1.632 g/cm³
Solubility
Melting Point 265-267℃
Formula C₉H₆N₂O₄
Boiling Point 520.8 °C at 760 mmHg
Molecular Weight 206.158
Flash Point 268.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Indole-3-carboxylicacid, 6-nitro- (7CI);6-Nitro-1H-indole-3-carboxylic acid;NSC 82382;6-Nitroindole-3-carboxylic acid;
PSA 98.91000
LogP 2.29750

6-Nitroindole-3-carboxylic acid Specification

The IUPAC name of 6-Nitroindole-3-carboxylic acid is 6-nitro-1H-indole-3-carboxylic acid. With the CAS registry number 10242-03-2, it is also named as 1H-Indole-3-carboxylicacid, 6-nitro-. In addition, its molecular formula is C₉H₆N₂O₄ and molecular weight is 206.15.

The other characteristics of 6-Nitroindole-3-carboxylic acid can be summarized as: (1)ACD/LogP: 1.72; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 2.93; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 6; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 77.05 Å²; (11)Index of Refraction: 1.761; (12)Molar Refractivity: 52 cm³; (13)Molar Volume: 126.2 cm³; (14)Polarizability: 20.61×10^-24cm³; (15)Surface Tension: 89.5 dyne/cm; (16)Density: 1.632 g/cm³; (17)Flash Point: 268.8 °C; (18)Enthalpy of Vaporization: 83.58 kJ/mol; (19)Boiling Point: 520.8 °C at 760 mmHg; (20)Vapour Pressure: 1.13E-11 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: [O-][N+](=O)c1ccc2c(c1)ncc2C(=O)O
(2)InChI: InChI=1/C9H6N2O4/c12-9(13)7-4-10-8-3-5(11(14)15)1-2-6(7)8/h1-4,10H,(H,12,13)
(3)InChIKey: MWFVAHOPRCFNCA-UHFFFAOYAC

Product Name

6-NITROINDOLE-3-CARBOXYLIC ACID

6-Nitroindole-3-carboxylic acid Specification

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