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814918-95-1

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Basic Information
CAS No.: 814918-95-1
Name: 5-bromo-4-chlorothieno[2,3-d]pyrimidine
Molecular Structure:
Molecular Structure of 814918-95-1 (5-bromo-4-chlorothieno[2,3-d]pyrimidine)
Formula: C6H2BrClN2S
Molecular Weight: 249.518
Synonyms: 5-Bromo-4-chlorothieno[2,3-d]pyrimidine;
Density: 1.955 g/cm3
Boiling Point: 345.453 °C at 760 mmHg
Flash Point: 162.724 °C
PSA: 54.02000
LogP: 3.10720
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Specification

The cas register number of 5-Bromo-4-chlorothieno[2,3-d]pyrimidine is 814918-95-1. It also can be called as Thieno[2,3-d]pyrimidine,5-bromo-4-chloro- and the IUPAC Name about this chemical is 5-bromo-4-chlorothieno[2,3-d]pyrimidine.

Physical properties about 5-Bromo-4-chlorothieno[2,3-d]pyrimidine are: (1)ACD/LogP: 2.21; (2)ACD/LogD (pH 5.5): 2.209; (3)ACD/LogD (pH 7.4): 2.209; (4)ACD/BCF (pH 5.5): 28.09; (5)ACD/BCF (pH 7.4): 28.09; (6)ACD/KOC (pH 5.5): 378.869; (7)ACD/KOC (pH 7.4): 378.87; (8)#H bond acceptors: 2; (9)Polar Surface Area: 54.02Å2; (10)Index of Refraction: 1.736; (11)Molar Refractivity: 51.247 cm3; (12)Molar Volume: 127.612 cm3; (13)Polarizability: 20.316x10-24cm3; (14)Surface Tension: 69.854 dyne/cm; (15)Enthalpy of Vaporization: 56.621 kJ/mol.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=C(C2=C(S1)N=CN=C2Cl)Br
(2)InChI: InChI=1S/C6H2BrClN2S/c7-3-1-11-6-4(3)5(8)9-2-10-6/h1-2H
(3)InChIKey: IKCKRHCJPVDELP-UHFFFAOYSA-N