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Fluoranthene,3-(chloromethyl)-

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Name

Fluoranthene,3-(chloromethyl)-

EINECS N/A
CAS No. 957-52-8 Density 1.321 g/cm3
PSA 0.00000 LogP 5.22600
Solubility N/A Melting Point N/A
Formula C17H11Cl Boiling Point 434.1 °C at 760 mmHg
Molecular Weight 250.727 Flash Point 201.2 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 957-52-8 (3-CHLOROMETHYLFLUORANTHENE) Hazard Symbols N/A
Synonyms

3-(Chloromethyl)fluoranthene;

 

Fluoranthene,3-(chloromethyl)- Specification

The Fluoranthene,3-(chloromethyl)- is an organic compound with the formula C17H11Cl. With the CAS registry number 957-52-8, the IUPAC name of this chemical is 3-(chloromethyl)fluoranthene.

Physical properties about Fluoranthene,3-(chloromethyl)- are: (1)ACD/LogP: 5.44; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.44; (4)ACD/LogD (pH 7.4): 5.44; (5)ACD/BCF (pH 5.5): 8018.04; (6)ACD/BCF (pH 7.4): 8018.04; (7)ACD/KOC (pH 5.5): 21683.16; (8)ACD/KOC (pH 7.4): 21683.16; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.815; (11)Molar Refractivity: 82.22 cm3; (12)Molar Volume: 189.6 cm3; (13)Polarizability: 32.59×10-24cm3; (14)Surface Tension: 58.6 dyne/cm; (15)Density: 1.321 g/cm3; (16)Flash Point: 201.2 °C; (17)Enthalpy of Vaporization: 66.35 kJ/mol; (18)Boiling Point: 434.1 °C at 760 mmHg; (19)Vapour Pressure: 2.47E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: ClCc4ccc2c1ccccc1c3c2c4ccc3
(2)InChI: InChI=1/C17H11Cl/c18-10-11-8-9-16-14-5-2-1-4-13(14)15-7-3-6-12(11)17(15)16/h1-9H,10H2
(3)InChIKey: HNQCQEGJQSCZMU-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C17H11Cl/c18-10-11-8-9-16-14-5-2-1-4-13(14)15-7-3-6-12(11)17(15)16/h1-9H,10H2
(5)Std. InChIKey: HNQCQEGJQSCZMU-UHFFFAOYSA-N

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