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60434-13-1

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Basic Information
CAS No.: 60434-13-1
Name: 5-chloro-1-methyl-1H-indole-2,3-dione
Article Data: 104
Molecular Structure:
Molecular Structure of 60434-13-1 (5-chloro-1-methyl-1H-indole-2,3-dione)
Formula: C9H6ClNO2
Molecular Weight: 195.605
Synonyms: 1-Methyl-5-chloro-2,3-indoledione;1-Methyl-5-chloroisatin;5-Chloro-1-methylisatin;
EINECS: 262-231-5
Density: 1.454 g/cm3
Melting Point: 175.0 to 179.0 °C
Boiling Point: 344.9 °C at 760 mmHg
Flash Point: 162.4 °C
PSA: 37.38000
LogP: 1.56410
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Specification

The CAS registry number of 1H-Indole-2,3-dione,5-chloro-1-methyl- is 60434-13-1. Its EINECS registry number is 262-231-5. This chemical's molecular formula is C9H6ClNO2 and molecular weight is 195.60244. Its systematic name is called 5-chloro-1-methyl-1H-indole-2,3-dione.

Physical properties of 1H-Indole-2,3-dione,5-chloro-1-methyl-: (1)ACD/LogP: 1.18; (2)ACD/LogD (pH 5.5): 1.18; (3)ACD/LogD (pH 7.4): 1.18; (4)ACD/BCF (pH 5.5): 4.6; (5)ACD/BCF (pH 7.4): 4.6; (6)ACD/KOC (pH 5.5): 103.81; (7)ACD/KOC (pH 7.4): 103.81; (8)#H bond acceptors: 3; (9)Index of Refraction: 1.619; (10)Molar Refractivity: 47.24 cm3; (11)Molar Volume: 134.5 cm3; (12)Surface Tension: 54.9 dyne/cm; (13)Density: 1.454 g/cm3; (14)Flash Point: 162.4 °C; (15)Enthalpy of Vaporization: 58.89 kJ/mol; (16)Boiling Point: 344.9 °C at 760 mmHg; (17)Vapour Pressure: 6.39E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc2c(cc1)N(C(=O)C2=O)C
(2)InChI: InChI=1/C9H6ClNO2/c1-11-7-3-2-5(10)4-6(7)8(12)9(11)13/h2-4H,1H3
(3)InChIKey: NJOPQQPDPYWFFA-UHFFFAOYAP