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1H-Indole-2,3-dione,6-fluoro-7-methyl-

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Name

1H-Indole-2,3-dione,6-fluoro-7-methyl-

EINECS N/A
CAS No. 57817-03-5 Density 1.399 g/cm3
PSA 46.17000 LogP 1.40690
Solubility N/A Melting Point 204-206 °C
Formula C9H6FNO2 Boiling Point N/A
Molecular Weight 179.151 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 57817-03-5 (6-Fluoro-7-Methyl Isatin) Hazard Symbols N/A
Synonyms

6-Fluoro-7-methylisatin;

Article Data 5

1H-Indole-2,3-dione,6-fluoro-7-methyl- 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

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