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245653-50-3

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Basic Information
CAS No.: 245653-50-3
Name: 4-chloro-2-methyl-1-indanone
Article Data: 4
Molecular Structure:
Molecular Structure of 245653-50-3 (4-chloro-2-methyl-1-indanone)
Formula: C10H9ClO
Molecular Weight: 180.634
Synonyms: 4-Chloro-2-methylindan-1-one;
EINECS: 607-401-5
Density: 1.229 g/cm3
Boiling Point: 288.6 °C at 760 mmHg
Flash Point: 139.1 °C
PSA: 17.07000
LogP: 2.71490
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Specification

The 1H-Inden-1-one,4-chloro-2,3-dihydro-2-methyl-, with the CAS registry number 245653-50-3, is also known as 4-Chloro-2-methylindan-1-one. This chemical's molecular formula is C10H9ClO and molecular weight is 180.6309. Its systematic name is called 4-chloro-2-methyl-2,3-dihydro-1H-inden-1-one.

Physical properties of 1H-Inden-1-one,4-chloro-2,3-dihydro-2-methyl-: (1)ACD/LogP: 3.44; (2)ACD/LogD (pH 5.5): 3.44; (3)ACD/LogD (pH 7.4): 3.44; (4)ACD/BCF (pH 5.5): 240.76; (5)ACD/BCF (pH 7.4): 240.76; (6)ACD/KOC (pH 5.5): 1763.35; (7)ACD/KOC (pH 7.4): 1763.35; (8)#H bond acceptors: 1; (9)Index of Refraction: 1.569; (10)Molar Refractivity: 48.16 cm3; (11)Molar Volume: 146.9 cm3; (12)Surface Tension: 41.4 dyne/cm; (13)Density: 1.229 g/cm3; (14)Flash Point: 139.1 °C; (15)Enthalpy of Vaporization: 52.79 kJ/mol; (16)Boiling Point: 288.6 °C at 760 mmHg; (17)Vapour Pressure: 0.00231 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cccc2c1CC(C2=O)C
(2)InChI: InChI=1/C10H9ClO/c1-6-5-8-7(10(6)12)3-2-4-9(8)11/h2-4,6H,5H2,1H3
(3)InChIKey: GWIBOQWKJXOKME-UHFFFAOYAC