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CAS No.: | 327049-94-5 |
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Name: | 5-(2-CHLORO-4-NITRO-PHENYL)-FURAN-2-CARBALDEHYDE |
Molecular Structure: | |
Formula: | C11H6ClNO4 |
Molecular Weight: | 251.626 |
Synonyms: | Furan-2-carboxaldehyde, 5-(2-chloro-4-nitrophenyl)-; |
Density: | 1.454 g/cm3 |
Boiling Point: | 401 °C at 760 mmHg |
Flash Point: | 196.3 °C |
PSA: | 76.03000 |
LogP: | 3.84390 |
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The 2-Furancarboxaldehyde, 5-(2-chloro-4-nitrophenyl)-, with the CAS registry number 327049-94-5, is also known as Furan-2-carboxaldehyde, 5-(2-chloro-4-nitrophenyl)-. This chemical's molecular formula is C11H6ClNO4 and molecular weight is 251.62. What's more, its IUPAC name is 5-(2-Chloro-4-nitrophenyl)furan-2-carbaldehyde.
Physical properties about 2-Furancarboxaldehyde, 5-(2-chloro-4-nitrophenyl)- are: (1)ACD/LogP: 2.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.99; (4)ACD/LogD (pH 7.4): 2.99; (5)ACD/BCF (pH 5.5): 109.98; (6)ACD/BCF (pH 7.4): 109.98; (7)ACD/KOC (pH 5.5): 1006.41; (8)ACD/KOC (pH 7.4): 1006.41; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 76.03 Å2; (13)Index of Refraction: 1.627; (14)Molar Refractivity: 61.33 cm3; (15)Molar Volume: 172.9 cm3; (16)Polarizability: 24.31×10-24 cm3; (17)Surface Tension: 54.9 dyne/cm; (18)Density: 1.454 g/cm3; (19)Flash Point: 196.3 °C; (20)Enthalpy of Vaporization: 65.19 kJ/mol; (21)Boiling Point: 401 °C at 760 mmHg; (22)Vapour Pressure: 1.22E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=Cc2oc(c1c(Cl)cc([N+]([O-])=O)cc1)cc2
(2) InChI: InChI=1/C11H6ClNO4/c12-10-5-7(13(15)16)1-3-9(10)11-4-2-8(6-14)17-11/h1-6H
(3) InChIKey: YLWXKADRQFEWGM-UHFFFAOYAO