Products Categories
| CAS No.: | 10357-68-3 |
|---|---|
| Name: | 8-BROMOXANTHINE |
| Molecular Structure: | |
|
|
|
| Formula: | C5H3BrN4O2 |
| Molecular Weight: | 231.008 |
| Synonyms: | 1H-Purine-2,6-dione,8-bromo-3,7-dihydro- (9CI);Xanthine, 8-bromo- (6CI,7CI,8CI);8-Bromopurine-2,6-diol;8-Bromoxanthine;NSC 24131; |
| Density: | 2.118 g/cm3 |
| PSA: | 94.40000 |
| LogP: | -0.29800 |
- 144851-82-1METHYL2-AMINO-3-FLUOROBENZOATE
- 483366-12-7(2S,4R)-1-Boc-2-cyano-4-hydroxypyrrolidine
- 173606-50-3BOC-10-AMINODECANOIC ACID
- 361456-36-2METHYL (R)-(+)-ISOCYANATO-3-PHENYLPROPI&
- 5156-58-1N-(1-Benzyl-4-pipperidinyl)-N-phenylpropanamide HCl
- 81281-59-67-Benzylideneaminotheophylline
- 50288-62-5threo-Phenyl-2-piperidyl acetamide
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 47087-37-6Z-D-Glu-OMe
- 1219080-61-1IMIDAZOLE-2-BORONIC ACID
- Total:34 Page 1 of 1 1
What can I do for you?
Get Best Price
Specification
The 1H-Purine-2,6-dione,8-bromo-3,9-dihydro-, with the CAS registry number 10357-68-3, is also known as Xanthine, 8-bromo-. This chemical's molecular formula is C5H3BrN4O2 and molecular weight is 231.01. What's more, its IUPAC name is 8-Bromo-3,7-dihydropurine-2,6-dione.
Physical properties of 1H-Purine-2,6-dione,8-bromo-3,9-dihydro- are: (1)ACD/LogP: -0.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.92; (4)ACD/LogD (pH 7.4): -2.17; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 6.49; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 58.44 Å2; (13)Index of Refraction: 1.675; (14)Molar Refractivity: 40.98 cm3; (15)Molar Volume: 109 cm3; (16)Polarizability: 16.24×10-24 cm3; (17)Surface Tension: 81.1 dyne/cm; (18)Density: 2.118 g/cm3.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C12=C(NC(=O)NC1=O)N=C(N2)Br
(2)InChI: InChI=1S/C5H3BrN4O2/c6-4-7-1-2(8-4)9-5(12)10-3(1)11/h(H3,7,8,9,10,11,12)
(3)InChIKey: ZFQWSCZYQLPFFZ-UHFFFAOYSA-N