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1217-89-6

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Basic Information
CAS No.: 1217-89-6
Name: 1-BENZYL-1H-INDOLE-2,3-DIONE
Article Data: 202
Molecular Structure:
Molecular Structure of 1217-89-6 (1-BENZYL-1H-INDOLE-2,3-DIONE)
Formula: C15H11NO2
Molecular Weight: 237.258
Synonyms: Isatin, 1-benzyl- (6CI);1-(Phenylmethyl)-1H-indole-2,3-dione;1-Benzyl-1H-indole-2,3-dione;1-Benzylindoline-2,3-dione;1-Benzylisatin;N-Benzylisatin;NSC 100000;Indole-2,3-dione,1-benzyl- (7CI,8CI);
Density: 1.311 g/cm3
Melting Point: 128.0 to 132.0 °C
Boiling Point: 416.8 °C at 760 mmHg
Flash Point: 195.9 °C
PSA: 37.38000
LogP: 2.48110
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Specification

The 1H-Indole-2,3-dione,1-(phenylmethyl)-, with the CAS registry number 1217-89-6, is also known as N-Benzylisatin. This chemical's molecular formula is C15H11NO2 and molecular weight is 237.2533. Its IUPAC name is called 1-benzylindole-2,3-dione.

Physical properties of 1H-Indole-2,3-dione,1-(phenylmethyl)-: (1)ACD/LogP: 2.36; (2)#H bond acceptors: 3; (3)#Freely Rotating Bonds: 2; (4)Index of Refraction: 1.66; (5)Molar Refractivity: 66.8 cm3; (6)Molar Volume: 180.8 cm3; (7)Surface Tension: 59.8 dyne/cm; (8)Density: 1.311 g/cm3; (9)Flash Point: 195.9 °C; (10)Enthalpy of Vaporization: 67.01 kJ/mol; (11)Boiling Point: 416.8 °C at 760 mmHg; (12)Vapour Pressure: 3.72E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=O)C2=O
(2)InChI: InChI=1S/C15H11NO2/c17-14-12-8-4-5-9-13(12)16(15(14)18)10-11-6-2-1-3-7-11/h1-9H,10H2
(3)InChIKey: SIISFRLGYDVIRG-UHFFFAOYSA-N