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CAS No.: | 6312-73-8 |
---|---|
Name: | 5-BROMO-6-AMINOURACIL |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C4H4BrN3O2 |
Molecular Weight: | 205.999 |
Synonyms: | Uracil,6-amino-5-bromo- (6CI,7CI,8CI);5-Bromo-6-aminouracil;6-Amino-5-bromouracil;NSC 27652;NSC 40394; |
EINECS: | 228-638-7 |
Density: | 2.005 g/cm3 |
Boiling Point: | 432.8oC at 760 mmHg |
Flash Point: | 215.6oC |
PSA: | 91.74000 |
LogP: | -0.01090 |
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The 2,4(1H,3H)-Pyrimidinedione,6-amino-5-bromo-, with the CAS registry number 6312-73-8, is also known as 6-Amino-5-bromouracil. Its EINECS registry number is 228-638-7. This chemical's molecular formula is C4H4BrN3O2 and molecular weight is 205.9975. Its IUPAC name is called 6-amino-5-bromo-1H-pyrimidine-2,4-dione.
Physical properties of 2,4(1H,3H)-Pyrimidinedione,6-amino-5-bromo-: (1)ACD/LogP: -1.02; (2)ACD/LogD (pH 5.5): -1.02; (3)ACD/LogD (pH 7.4): -1.17; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 6.58; (7)ACD/KOC (pH 7.4): 4.73; (8)#H bond acceptors: 5; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.625; (12)Molar Refractivity: 36.33 cm3; (13)Molar Volume: 102.7 cm3; (14)Surface Tension: 63.6 dyne/cm; (15)Density: 2.005 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: BrC=1C(=O)NC(=O)NC=1N
(2)InChI: InChI=1/C4H4BrN3O2/c5-1-2(6)7-4(10)8-3(1)9/h(H4,6,7,8,9,10)
(3)InChIKey: FSLBEEVCUZFKRL-UHFFFAOYAN