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Basic Information
CAS No.: 280581-50-2
Name: 5-Bromo-2-chloro-N-phenyl-4-pyrimidinamine
Molecular Structure:
Molecular Structure of 280581-50-2 (5-Bromo-2-chloro-N-phenyl-4-pyrimidinamine)
Formula: C10H7BrClN3
Molecular Weight: 284.543
Synonyms: 5-Bromo-2-chloro-N-phenyl-4-pyrimidinamine;4-anilino-5-broMo-2-chloropyriMidine
Density: 1.673 g/cm3
Boiling Point: 423.7 °C at 760 mmHg
Flash Point: 210 °C
PSA: 41.04000
LogP: 3.05800
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Specification

The CAS registry number of 4-Pyrimidinamine, 5-bromo-2-chloro-N-phenyl- is 280581-50-2. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C10H7BrClN3 and molecular weight is 284.5397. What's more, its IUPAC name is 5-Bromo-2-chloro-N-phenylpyrimidin-4-amine.

Physical properties about 4-Pyrimidinamine, 5-bromo-2-chloro-N-phenyl- are: (1)ACD/LogP: 3.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.52; (4)ACD/LogD (pH 7.4): 3.52; (5)ACD/BCF (pH 5.5): 279.59; (6)ACD/BCF (pH 7.4): 279.59; (7)ACD/KOC (pH 5.5): 1962.55; (8)ACD/KOC (pH 7.4): 1962.55; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 29.02 Å2; (13)Index of Refraction: 1.681; (14)Molar Refractivity: 64.39 cm3; (15)Molar Volume: 170 cm3; (16)Polarizability: 25.52×10-24 cm3; (17)Surface Tension: 61 dyne/cm; (18)Density: 1.673 g/cm3; (19)Flash Point: 210 °C; (20)Enthalpy of Vaporization: 67.81 kJ/mol; (21)Boiling Point: 423.7 °C at 760 mmHg; (22)Vapour Pressure: 2.19E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc2nc(Nc1ccccc1)c(Br)cn2
(2) InChI: InChI=1/C10H7BrClN3/c11-8-6-13-10(12)15-9(8)14-7-4-2-1-3-5-7/h1-6H,(H,13,14,15)
(3) InChIKey: NKUZAJOBLJQQPW-UHFFFAOYAI