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33963-94-9

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Basic Information
CAS No.: 33963-94-9
Name: 2,4,5,7-tetranitroacridin-9(10H)-one
Molecular Structure:
Molecular Structure of 33963-94-9 (2,4,5,7-tetranitroacridin-9(10H)-one)
Formula: C13H5N5O9
Molecular Weight: 375.211
Synonyms: 9-Acridanone,2,4,5,7-tetranitro- (6CI,8CI);2,4,5,7-Tetranitro-9(10H)-acridinone;2,4,5,7-Tetranitroacridone;2,4,5,7-Tetranitroacridin-9(10H)-one;
EINECS: 251-763-3
Density: 1.821 g/cm3
Melting Point: 337 °C
Boiling Point: 614.2 °C at 760 mmHg
Flash Point: 325.3 °C
PSA: 216.14000
LogP: 4.40690
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Specification

The 9(10H)-Acridinone,2,4,5,7-tetranitro-, with the CAS registry number 33963-94-9, is also known as 2,4,5,7-Tetranitro-9(10H)-acridinone. This chemical's molecular formula is C13H5N5O9 and molecular weight is 375.21. What's more, its systematic name is 2,4,5,7-Tetranitroacridin-9(10H)-one and its EINECS number is 251-763-3.

Physical properties of 9(10H)-Acridinone,2,4,5,7-tetranitro- are: (1)ACD/LogP: 5.25; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 5.25; (4)ACD/LogD (pH 7.4): 5.25; (5)ACD/BCF (pH 5.5): 5751.05; (6)ACD/BCF (pH 7.4): 5751.05; (7)ACD/KOC (pH 5.5): 17093.03; (8)ACD/KOC (pH 7.4): 17093.03; (9)#H bond acceptors: 14; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 203.59 Å2; (13)Index of Refraction: 1.744; (14)Molar Refractivity: 83.45 cm3; (15)Molar Volume: 205.9 cm3; (16)Polarizability: 33.08×10-24 cm3; (17)Surface Tension: 96.8 dyne/cm; (18)Density: 1.821 g/cm3; (19)Flash Point: 325.3 °C; (20)Enthalpy of Vaporization: 91.15 kJ/mol; (21)Boiling Point: 614.2 °C at 760 mmHg; (22)Vapour Pressure: 5.06E-15 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c3cc2C(=O)c1cc(cc(c1Nc2c([N+]([O-])=O)c3)[N+]([O-])=O)[N+]([O-])=O
(2)InChI: InChI=1S/C13H5N5O9/c19-13-7-1-5(15(20)21)3-9(17(24)25)11(7)14-12-8(13)2-6(16(22)23)4-10(12)18(26)27/h1-4H,(H,14,19)
(3)InChIKey: IWAAXWFVRXGJLD-UHFFFAOYSA-N