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| CAS No.: | 1036757-40-0 |
|---|---|
| Name: | 3-AMINO-5-FLUOROBENZAMIDE |
| Molecular Structure: | |
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| Formula: | C7H7FN2O |
| Molecular Weight: | 154.144 |
| Synonyms: | 3-Amino-5-fluorobenzamide;[2-(Diisopropylcarbamoyl)phenyl]boronic acid; |
| Density: | 1.344 g/cm3 |
| Boiling Point: | 282.5 °C at 760 mmHg |
| Flash Point: | 124.6 °C |
| PSA: | 69.11000 |
| LogP: | 1.78830 |
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- Total:22 Page 1 of 1 1
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Specification
The IUPAC name of Benzamide, 3-amino-5-fluoro- is 3-amino-5-fluorobenzamide. With the CAS registry number 1036757-40-0, it is also named as [2-(Diisopropylcarbamoyl)phenyl]boronic acid. In addition, its molecular formula is C7H7FN2O and molecular weight is 154.141683.
The other characteristics of Benzamide, 3-amino-5-fluoro- can be summarized as: (1)ACD/LogP: 0.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.9; (4)ACD/LogD (pH 7.4): 0.9; (5)#H bond acceptors: 3; (6)#H bond donors: 4; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 69.11 Å2; (9)Index of Refraction: 1.603; (10)Molar Refractivity: 39.41 cm3; (11)Molar Volume: 114.6 cm3; (12)Polarizability: 15.62×10-24cm3; (13)Surface Tension: 56.7 dyne/cm; (14)Density: 1.344 g/cm3; (15)Flash Point: 124.6 °C; (16)Enthalpy of Vaporization: 52.13 kJ/mol; (17)Boiling Point: 282.5 °C at 760 mmHg; (18)Vapour Pressure: 0.00335 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: c1c(cc(cc1N)F)C(=O)N
(2)InChI: InChI=1/C7H7FN2O/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,9H2,(H2,10,11)
(3)InChIKey: XEBNJYARAWCSGJ-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C7H7FN2O/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,9H2,(H2,10,11)
(5)Std. InChIKey: XEBNJYARAWCSGJ-UHFFFAOYSA-N