CAS No.211096-49-0,GSK-CXCR2 Suppliers

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Basic Information

Molecular Structure:
CAS No.:	211096-49-0
Name:	GSK-CXCR2

Formula:	C₁₄H₉BrN₆O
Molecular Weight:	357.17
Synonyms:	GSK-CXCR2;SB 265610;
Density:	1.779 g/cm³
Boiling Point:	527 °C at 760 mmHg
Flash Point:	272.5 °C
Hazard Symbols:	Xn
Risk Codes:	22
PSA:	106.49000
LogP:	3.38208

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Specification

The 1-(2-Bromo-phenyl)-3-(7-cyano-3H-benzotriazol-4-yl)-urea, with the CAS registry number of 211096-49-0, is also known as SB 265610. This chemical's molecular formula is C₁₄H₉BrN₆O and molecular weight is 357.17. What's more, its systematic name is called 1-(2-Bromo-phenyl)-3-(7-cyano-3H-benzotriazol-4-yl)-urea. Besides, 1-(2-Bromo-phenyl)-3-(7-cyano-3H-benzotriazol-4-yl)-urea can be stored at room temperature.

Physical properties about 1-(2-Bromo-phenyl)-3-(7-cyano-3H-benzotriazol-4-yl)-urea are: (1)ACD/LogP: 2.40; (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): 38; (6)ACD/BCF (pH 7.4): 15; (7)ACD/KOC (pH 5.5): 471; (8)ACD/KOC (pH 7.4): 188; (9)#H bond acceptors: 7; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 106.49 Å²; (13)Index of Refraction: 1.763; (14)Molar Refractivity: 82.878 cm³; (15)Molar Volume: 200.729 cm³; (16)Surface Tension: 100.314 dyne/cm; (17)Density: 1.779 g/cm³; (18)Flash Point: 272.5 °C; (19)Enthalpy of Vaporization: 80.15 kJ/mol; (20)Boiling Point: 527 °C at 760 mmHg; (21)Vapour Pressure: 3.39E-11 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc1ccccc1NC(=O)Nc2ccc(C#N)c3nnnc23
(2) InChI: InChI=1/C14H9BrN6O/c15-9-3-1-2-4-10(9)17-14(22)18-11-6-5-8(7-16)12-13(11)20-21-19-12/h1-6H,(H2,17,18,22)(H,19,20,21)
(3) InChIKey: SEDUMQWZEOMXSO-UHFFFAOYAY