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CAS No.: | 1544-75-8 |
---|---|
Name: | 5-FLUORO-1,3-DIHYDRO-BENZIMIDAZOL-2-ONE |
Article Data: | 27 |
Molecular Structure: | |
Formula: | C7H5FN2O |
Molecular Weight: | 152.128 |
Synonyms: | 5-Fluoro-1,3-dihydrobenzimidazol-2-one;5-Fluoro-2-benzimidazolinone;2-Benzimidazolinone,5-fluoro- (6CI,8CI);5-Fluoro-1,3-dihydro-2H-benzimidazol-2-one; |
EINECS: | 200-258-5 |
Density: | 1.367 g/cm3 |
Melting Point: | 300 °C |
Boiling Point: | 118.83 °C at 760 mmHg |
Flash Point: | 25.668 °C |
PSA: | 48.65000 |
LogP: | 0.99530 |
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The CAS register number of 2H-Benzimidazol-2-one,5-fluoro-1,3-dihydro- is 1544-75-8. It also can be called as 5-Fluoro-2-benzimidazolinone and the IUPAC name about this chemical is 5-fluoro-1,3-dihydrobenzimidazol-2-one. The molecular formula about this chemical is C7H5FN2O and the molecular weight is 152.13. It belongs to the following product category which includes Benzimidazole.
Physical properties about 2H-Benzimidazol-2-one,5-fluoro-1,3-dihydro- are: (1)ACD/LogP: 1.36; (2)ACD/LogD (pH 5.5): 1.361; (3)ACD/LogD (pH 7.4): 1.361; (4)ACD/BCF (pH 5.5): 6.375; (5)ACD/BCF (pH 7.4): 6.372; (6)ACD/KOC (pH 5.5): 131.055; (7)ACD/KOC (pH 7.4): 131; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)Polar Surface Area: 41.13 Å2; (11)Index of Refraction: 1.561; (12)Molar Refractivity: 36.024 cm3; (13)Molar Volume: 111.298 cm3; (14)Polarizability: 14.281x10-24cm3; (15)Surface Tension: 40.87 dyne/cm; (16)Density: 1.367 g/cm3; (17)Flash Point: 25.668 °C; (18)Enthalpy of Vaporization: 35.703 kJ/mol; (19)Boiling Point: 118.83 °C at 760 mmHg; (20)Vapour Pressure: 16.381 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c(cc1F)[nH]c(=O)[nH]2
(2)InChI: InChI=1/C7H5FN2O/c8-4-1-2-5-6(3-4)10-7(11)9-5/h1-3H,(H2,9,10,11)
(3)InChIKey: DZRTZDURJKZGSP-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C7H5FN2O/c8-4-1-2-5-6(3-4)10-7(11)9-5/h1-3H,(H2,9,10,11)
(5)Std. InChIKey: DZRTZDURJKZGSP-UHFFFAOYSA-N