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CAS No.: | 885275-14-9 |
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Name: | 3-BOCAMINO-4-BROMOPYRIDINE |
Molecular Structure: | |
Formula: | C10H13BrN2O2 |
Molecular Weight: | 273.13 |
Synonyms: | tert-Butyl N-(4-bromopyridin-3-yl)carbamate;Carbamic acid,(4-bromo-3-pyridinyl)-, 1,1-dimethylethyl ester (9CI);(4-Bromo-pyridin-3-yl)-carbamic acid tert-butyl ester; |
Density: | 1.454 g/cm3 |
Boiling Point: | 296.3 °C at 760 mmHg |
Flash Point: | 132.998 °C |
PSA: | 51.22000 |
LogP: | 3.26410 |
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The Carbamic acid, N-(4-bromo-3-pyridinyl)-, 1,1-dimethylethyl ester, with the CAS registry number 885275-14-9, is also known as (4-Bromo-pyridin-3-yl)-carbamic acid tert-butyl ester. This chemical's molecular formula is C10H13BrN2O2 and molecular weight is 273.13. What's more, its systematic name is tert-butyl N-(4-bromopyridin-3-yl)carbamate.
Physical properties of Carbamic acid, N-(4-bromo-3-pyridinyl)-, 1,1-dimethylethyl ester are: (1)ACD/LogP: 2.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.245; (4)ACD/LogD (pH 7.4): 2.247; (5)ACD/BCF (pH 5.5): 29.922; (6)ACD/BCF (pH 7.4): 30.047; (7)ACD/KOC (pH 5.5): 395.913; (8)ACD/KOC (pH 7.4): 397.57; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 51.22 Å2; (13)Index of Refraction: 1.573; (14)Molar Refractivity: 61.916 cm3; (15)Molar Volume: 187.856 cm3; (16)Polarizability: 24.545×10-24cm3; (17)Surface Tension: 46.204 dyne/cm; (18)Density: 1.454 g/cm3; (19)Flash Point: 132.998 °C; (20)Enthalpy of Vaporization: 53.607 kJ/mol; (21)Boiling Point: 296.3 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)(C)OC(=O)NC1=C(C=CN=C1)Br
(2)InChI: InChI=1S/C10H13BrN2O2/c1-10(2,3)15-9(14)13-8-6-12-5-4-7(8)11/h4-6H,1-3H3,(H,13,14)
(3)InChIKey: ZYPYNFATVZIZSX-UHFFFAOYSA-N