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CAS No.: | 1003709-57-6 |
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Name: | 3-Fluoro-4-iodobenzaldehyde |
Molecular Structure: | |
Formula: | C7H4FIO |
Molecular Weight: | 250.01 |
Synonyms: | Benzaldehyde, 3-fluoro-4-iodo-; |
Density: | 1.962 g/cm3 |
Boiling Point: | 264.5 °C at 760 mmHg |
Flash Point: | 113.8 °C |
PSA: | 17.07000 |
LogP: | 2.24280 |
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The 3-Fluoro-4-iodobenzaldehyde, with the CAS registry number 1003709-57-6, is also known as Benzaldehyde, 3-fluoro-4-iodo-. This chemical's molecular formula is C7H4FIO and molecular weight is 250.01. What's more, its systematic name is 3-Fluoro-4-iodobenzaldehyde.
Physical properties about 3-Fluoro-4-iodobenzaldehyde are: (1)ACD/LogP: 3.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 111.5; (6)ACD/BCF (pH 7.4): 111.5; (7)ACD/KOC (pH 5.5): 1016.33; (8)ACD/KOC (pH 7.4): 1016.33; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.64; (14)Molar Refractivity: 45.9 cm3; (15)Molar Volume: 127.3 cm3; (16)Polarizability: 18.19×10-24 cm3; (17)Surface Tension: 47.8 dyne/cm; (18)Density: 1.962 g/cm3; (19)Flash Point: 113.8 °C; (20)Enthalpy of Vaporization: 50.24 kJ/mol; (21)Boiling Point: 264.5 °C at 760 mmHg; (22)Vapour Pressure: 0.00965 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: c1cc(c(cc1C=O)F)I
(2) InChI: InChI=1/C7H4FIO/c8-6-3-5(4-10)1-2-7(6)9/h1-4H
(3) InChIKey: CGQJITDLUBMLFF-UHFFFAOYAZ