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39968-37-1

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Basic Information
CAS No.: 39968-37-1
Name: 5-BROMO-3,6-DIMETHYLURACIL
Article Data: 3
Molecular Structure:
Molecular Structure of 39968-37-1 (5-BROMO-3,6-DIMETHYLURACIL)
Formula: C6H7BrN2O2
Molecular Weight: 219.038
Synonyms: 5-Bromo-3,6-dimethyluracil;
Density: 1.682 g/cm3
PSA: 54.86000
LogP: 0.14450
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Specification

The 2,4(1H,3H)-Pyrimidinedione,5-bromo-3,6-dimethyl-, with the CAS registry number 39968-37-1, is also known as 5-Bromo-3,6-dimethyluracil. This chemical's molecular formula is C6H7BrN2O2 and molecular weight is 219.036. Its systematic name is called 5-bromo-3,6-dimethylpyrimidine-2,4(1H,3H)-dione.

Physical properties of 2,4(1H,3H)-Pyrimidinedione,5-bromo-3,6-dimethyl-: (1)ACD/LogP: 0.69; (2)ACD/LogD (pH 5.5): 0.69; (3)ACD/LogD (pH 7.4): 0.54; (4)ACD/BCF (pH 5.5): 1.97; (5)ACD/BCF (pH 7.4): 1.38; (6)ACD/KOC (pH 5.5): 56.48; (7)ACD/KOC (pH 7.4): 39.45; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)Index of Refraction: 1.565; (11)Molar Refractivity: 42.42 cm3; (12)Molar Volume: 130.1 cm3; (13)Surface Tension: 45.7 dyne/cm; (14)Density: 1.682 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: CC=1NC(=O)N(C)C(=O)C=1Br
(2)InChI: InChI=1/C6H7BrN2O2/c1-3-4(7)5(10)9(2)6(11)8-3/h1-2H3,(H,8,11)
(3)InChIKey: AKPATAVUEYOGRE-UHFFFAOYAZ