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CAS No.: | 86775-99-7 |
---|---|
Name: | 4-(2-Bromoanilino)pyridine |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C11H9BrN2 |
Molecular Weight: | 249.11 |
Synonyms: | N-(2-Bromophenyl)pyridin-4-amine; |
Density: | 1.511 g/cm3 |
Boiling Point: | 346.766 °C at 760 mmHg |
Flash Point: | 163.518 °C |
PSA: | 28.15000 |
LogP: | 3.00960 |
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The 4-(2-Bromoanilino)pyridine has the CAS registry number 86775-99-7. This chemical's molecular formula is C11H9BrN2 and molecular weight is 249.10656. What's more, its systematic name is N-(2-Bromophenyl)pyridin-4-amine.
Physical properties about 4-(2-Bromoanilino)pyridine are: (1)ACD/LogP: 2.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 8; (6)ACD/BCF (pH 7.4): 25; (7)ACD/KOC (pH 5.5): 117; (8)ACD/KOC (pH 7.4): 348; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 24.92 Å2; (13)Index of Refraction: 1.667; (14)Molar Refractivity: 61.409 cm3; (15)Molar Volume: 164.883 cm3; (16)Polarizability: 24.344×10-24 cm3; (17)Surface Tension: 53.182 dyne/cm; (18)Density: 1.511 g/cm3; (19)Flash Point: 163.518 °C; (20)Enthalpy of Vaporization: 59.097 kJ/mol; (21)Boiling Point: 346.766 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: c1ccc(c(c1)Nc2ccncc2)Br
(2) InChI: InChI=1/C11H9BrN2/c12-10-3-1-2-4-11(10)14-9-5-7-13-8-6-9/h1-8H,(H,13,14)
(3) InChIKey: FHNBUDLTARKVOT-UHFFFAOYAV