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1123169-41-4

Basic Information
CAS No.: 1123169-41-4
Name: 8-Bromoquinazoline
Molecular Structure:
Molecular Structure of 1123169-41-4 (8-Bromoquinazoline)
Formula: C8H5BrN2
Molecular Weight: 209.045
Synonyms: Quinazoline, 8-bromo-;
Density: 1.656 g/cm3
Boiling Point: 304.3 °C at 760 mmHg
Flash Point: 137.8 °C
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  • 8-BROMOQUINAZOLINE  CAS NO.1123169-41-4

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    8-BROMOQUINAZOLINE CAS NO.1123169-41-4

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Specification

The 8-Bromoquinazoline, with the CAS registry number 1123169-41-4, is also known as Quinazoline, 8-bromo-. This chemical's molecular formula is C8H5BrN2 and molecular weight is 209.0427. What's more, its systematic name is called 8-Bromoquinazoline.

Physical properties about 8-Bromoquinazoline are: (1)ACD/LogP: 1.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.65; (4)ACD/LogD (pH 7.4): 1.66; (5)ACD/BCF (pH 5.5): 10.61; (6)ACD/BCF (pH 7.4): 10.73; (7)ACD/KOC (pH 5.5): 188.05; (8)ACD/KOC (pH 7.4): 190.27; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 25.78 Å2; (13)Index of Refraction: 1.685; (14)Molar Refractivity: 47.96 cm3; (15)Molar Volume: 126.1 cm3; (16)Surface Tension: 59.1 dyne/cm; (17)Density: 1.656 g/cm3; (18)Flash Point: 137.8 °C; (19)Enthalpy of Vaporization: 52.28 kJ/mol; (20)Boiling Point: 304.3 °C at 760 mmHg; (21)Vapour Pressure: 0.00159 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc2cccc1cncnc12
(2) InChI: InChI=1/C8H5BrN2/c9-7-3-1-2-6-4-10-5-11-8(6)7/h1-5H
(3) InChIKey: UXVYREUIHBIBKO-UHFFFAOYAV