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344331-90-4

Basic Information
CAS No.: 344331-90-4
Name: (6-BROMO-2-PYRIDINYL)-CARBAMIC ACID,1,1-DIMETHYLETHYL ESTER
Article Data: 19
Molecular Structure:
Molecular Structure of 344331-90-4 ((6-BROMO-2-PYRIDINYL)-CARBAMIC ACID,1,1-DIMETHYLETHYL ESTER)
Formula: C10H13BrN2O2
Molecular Weight: 273.129
Synonyms: 1,1-Dimethylethyl(6-bromo-2-pyridinyl)carbamate;tert-Butyl (6-Bromopyridin-2-yl)carbamate;tert-Butyl N-(6-bromopyridin-2-yl)carbamate;
Density: 1.454 g/cm3
Boiling Point: 299.3 °C at 760 mmHg
Flash Point: 134.8 °C
PSA: 51.22000
LogP: 3.26410
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The 6-Bromo-2-tert-butoxycarbonylaminopyridine is an organic compound with the formula C10H13BrN2O2. The IUPAC name of this chemical is tert-butyl N-(6-bromopyridin-2-yl)carbamate. With the CAS registry number 344331-90-4, it is also named as carbamic acid, N-(6-bromo-2-pyridinyl)-, 1,1-dimethylethyl ester. The product's category is Pharmacetical. 

The other characteristics of 6-Bromo-2-tert-butoxycarbonylaminopyridine can be summarized as: (1)ACD/LogP: 2.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.52; (4)ACD/LogD (pH 7.4): 2.52; (5)ACD/BCF (pH 5.5): 48.41; (6)ACD/BCF (pH 7.4): 48.41; (7)ACD/KOC (pH 5.5): 559.38; (8)ACD/KOC (pH 7.4): 559.36; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.573; (13)Molar Refractivity: 61.91 cm3; (14)Molar Volume: 187.8 cm3; (15)Polarizability: 24.54×10-24 cm3; (16)Surface Tension: 46.2 dyne/cm; (17)Enthalpy of Vaporization: 53.93 kJ/mol; (18)Vapour Pressure: 0.0012 mmHg at 25°C; (19)Rotatable Bond Count: 3; (20)Tautomer Count: 3; (21)Exact Mass: 272.01604; (22)MonoIsotopic Mass: 272.01604; (23)Topological Polar Surface Area: 51.2; (24)Heavy Atom Count: 15; (25)Complexity: 228.

People can use the following data to convert to the molecule structure.
1. SMILES:Brc1cccc(NC(=O)OC(C)(C)C)n1
2. InChI:InChI=1/C10H13BrN2O2/c1-10(2,3)15-9(14)13-8-6-4-5-7(11)12-8/h4-6H,1-3H3,(H,12,13,14)