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CAS No.: | 140373-77-9 |
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Name: | TERT-BUTYL 4-AMINO-2-FLUOROBENZOATE |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C11H14FNO2 |
Molecular Weight: | 211.236 |
Synonyms: | 4-Amino-2-fluorobenzoicacid tert-butyl ester;tert-Butyl 4-amino-2-fluorobenzoate; |
Density: | 1.152 g/cm3 |
Boiling Point: | 325.561 °C at 760 mmHg |
Flash Point: | 150.694 °C |
PSA: | 52.32000 |
LogP: | 2.94440 |
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This chemical is called Benzoic acid, 4-amino-2-fluoro-, 1,1-dimethylethyl ester, and its systematic name is tert-Butyl 4-amino-2-fluorobenzoate. With the molecular formula of C11H14FNO2, its molecular weight is 211.23. The CAS registry number of this chemical is 140373-77-9.
Other characteristics of the Benzoic acid, 4-amino-2-fluoro-, 1,1-dimethylethyl ester can be summarised as followings: (1)ACD/LogP: 2.70; (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): 78; (6)ACD/BCF (pH 7.4): 78; (7)ACD/KOC (pH 5.5): 787; (8)ACD/KOC (pH 7.4): 787; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 52.32 Å2; (13)Index of Refraction: 1.524; (14)Molar Refractivity: 56.12 cm3; (15)Molar Volume: 183.385 cm3; (16)Polarizability: 22.248×10-24cm3; (17)Surface Tension: 39.428 dyne/cm; (18)Density: 1.152 g/cm3; (19)Flash Point: 150.694 °C; (20)Enthalpy of Vaporization: 56.769 kJ/mol; (21)Boiling Point: 325.561 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Fc1c(C(=O)OC(C)(C)C)ccc(N)c1
2.InChI: InChI=1/C11H14FNO2/c1-11(2,3)15-10(14)8-5-4-7(13)6-9(8)12/h4-6H,13H2,1-3H3
3.InChIKey: FCCRKNYAZJHMME-UHFFFAOYAZ