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2499-47-0

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Basic Information
CAS No.: 2499-47-0
Name: 2-(chloromethyl)-2-[4-(4-nitrophenyl)buta-1,3-dien-1-yl]-1,3-dioxolane
Molecular Structure:
Molecular Structure of 2499-47-0 (2-(chloromethyl)-2-[4-(4-nitrophenyl)buta-1,3-dien-1-yl]-1,3-dioxolane)
Formula: C14H14ClNO4
Molecular Weight: 295.722
Synonyms: 1,3-Dioxolane,2-(chloromethyl)-2-[4-(4-nitrophenyl)-1,3-butadienyl]- (9CI);1,3-Dioxolane,2-(chloromethyl)-2-[4-(p-nitrophenyl)-1,3-butadienyl]- (7CI);NSC 88901;
Density: 1.354 g/cm3
Boiling Point: 415.2 °C at 760 mmHg
Flash Point: 204.9 °C
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Specification

The 1,3-Dioxolane,2-(chloromethyl)-2-[4-(4-nitrophenyl)-1,3-butadien-1-yl]- is an organic compound with the formula C14H14ClNO4. With the CAS registry number 2499-47-0, the IUPAC name of this chemical is 2-(chloromethyl)-2-[4-(4-nitrophenyl)buta-1,3-dienyl]-1,3-dioxolane.

Physical properties about 1,3-Dioxolane,2-(chloromethyl)-2-[4-(4-nitrophenyl)-1,3-butadien-1-yl]- are: (1)ACD/LogP: 2.66; (2)#H bond acceptors: 5; (3)#Freely Rotating Bonds: 5; (4)Polar Surface Area: 64.28 Å2; (5)Index of Refraction: 1.649; (6)Molar Refractivity: 79.61 cm3; (7)Molar Volume: 218.2 cm3; (8)Polarizability: 31.56×10-24cm3; (9)Surface Tension: 58.3 dyne/cm; (10)Density: 1.354 g/cm3; (11)Flash Point: 204.9 °C; (12)Enthalpy of Vaporization: 64.23 kJ/mol; (13)Boiling Point: 415.2 °C at 760 mmHg; (14)Vapour Pressure: 1.01E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c2ccc(C=CC=CC1(OCCO1)CCl)cc2
(2)InChI: InChI=1/C14H14ClNO4/c15-11-14(19-9-10-20-14)8-2-1-3-12-4-6-13(7-5-12)16(17)18/h1-8H,9-11H2
(3)InChIKey: GGHSZBCEDMGJEK-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C14H14ClNO4/c15-11-14(19-9-10-20-14)8-2-1-3-12-4-6-13(7-5-12)16(17)18/h1-8H,9-11H2
(5)Std. InChIKey: GGHSZBCEDMGJEK-UHFFFAOYSA-N