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145485-31-0

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Basic Information
CAS No.: 145485-31-0
Name: 7-IODO-1-TETRALONE
Article Data: 3
Molecular Structure:
Molecular Structure of 145485-31-0 (7-IODO-1-TETRALONE)
Formula: C10H9IO
Molecular Weight: 272.085
Synonyms: 7-Iodo-3,4-dihydronaphthalen-1(2H)-one;7-Iodo-α-Tetralone;7-Iodo-1-tetralone;
Density: 1.757 g/cm3
Boiling Point: 333.351 °C at 760 mmHg
Flash Point: 155.405 °C
PSA: 17.07000
LogP: 2.81020
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Specification

The CAS register number of 1(2H)-Naphthalenone,3,4-dihydro-7-iodo- is 145485-31-0. It also can be called as 7-Iodo-α-Tetralone and the systematic name about this chemical is 7-iodo-3,4-dihydronaphthalen-1(2H)-one. The molecular formula about this chemical is C10H9IO and the molecular weight is 272.08.

Physical properties about 1(2H)-Naphthalenone,3,4-dihydro-7-iodo- are: (1)ACD/LogP: 2.84; (2)ACD/LogD (pH 5.5): 4; (3)ACD/LogD (pH 7.4): 4; (4)ACD/BCF (pH 5.5): 346; (5)ACD/BCF (pH 7.4): 346; (6)ACD/KOC (pH 5.5): 2288; (7)ACD/KOC (pH 7.4): 2288; (8)#H bond acceptors: 1; (9)Polar Surface Area: 17.07 Å2; (10)Index of Refraction: 1.644; (11)Molar Refractivity: 56.076 cm3; (12)Molar Volume: 154.833 cm3; (13)Polarizability: 22.23x10-24cm3; (14)Surface Tension: 49.993 dyne/cm; (15)Density: 1.757 g/cm3; (16)Flash Point: 155.405 °C; (17)Enthalpy of Vaporization: 57.621 kJ/mol; (18)Boiling Point: 333.351 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: Ic2ccc1c(C(=O)CCC1)c2
(2)Std. InChI: InChI=1S/C10H9IO/c11-8-5-4-7-2-1-3-10(12)9(7)6-8/h4-6H,1-3H2
(3)Std. InChIKey: PNNRPUMINDUKIJ-UHFFFAOYSA-N