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57817-03-5

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Basic Information
CAS No.: 57817-03-5
Name: 6-Fluoro-7-Methyl Isatin
Article Data: 5
Molecular Structure:
Molecular Structure of 57817-03-5 (6-Fluoro-7-Methyl Isatin)
Formula: C9H6FNO2
Molecular Weight: 179.151
Synonyms: 6-Fluoro-7-methylisatin;
Density: 1.399 g/cm3
Melting Point: 204-206 °C
PSA: 46.17000
LogP: 1.40690
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Specification

The 1H-Indole-2,3-dione,6-fluoro-7-methyl-, with the CAS registry number 57817-03-5, is also known as 6-Fluor-7-methyl-1H-indol-2,3-dion. This chemical's molecular formula is C9H6FNO2 and molecular weight is 179.1478. Its IUPAC name is called 6-fluoro-7-methyl-1H-indole-2,3-dione.

Physical properties of 1H-Indole-2,3-dione,6-fluoro-7-methyl-: (1)ACD/LogP: 1.84; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 8; (5)ACD/BCF (pH 7.4): 8; (6)ACD/KOC (pH 5.5): 157; (7)ACD/KOC (pH 7.4): 152; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)Index of Refraction: 1.574; (11)Molar Refractivity: 42.243 cm3; (12)Molar Volume: 128.037 cm3; (13)Surface Tension: 47.802 dyne/cm; (14)Density: 1.399 g/cm3.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C(C=CC2=C1NC(=O)C2=O)F
(2)InChI: InChI=1S/C9H6FNO2/c1-4-6(10)3-2-5-7(4)11-9(13)8(5)12/h2-3H,1H3,(H,11,12,13)
(3)InChIKey: SCTZCVLCXNUKGW-UHFFFAOYSA-N