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CAS No.: | 13548-68-0 |
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Name: | 8-CHLOROXANTHINE |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C5H3ClN4O2 |
Molecular Weight: | 186.557 |
Synonyms: | 1H-Purine-2,6-dione,8-chloro-3,7-dihydro-;Xanthine, 8-chloro- (6CI,7CI,8CI);8-Chloroxanthine; |
Density: | 1.779 g/cm3 |
PSA: | 94.40000 |
LogP: | -0.40710 |
IUPAC Name: 8-Chloro-3,7-dihydropurine-2,6-dione
Molecular Formula: C5H3ClN4O2
Molecular Weight: 186.56 g/mol
Canonical SMILES: c12c(c([nH]c([nH]2)=O)=O)[nH]c(n1)Cl
InChI: InChI=1/C5H3ClN4O2/c6-4-7-1-2(8-4)9-5(12)10-3(1)11/h(H3,7,8,9,10,11,12)
XLogP3: 0.2
H-Bond Donor: 3
H-Bond Acceptor: 3
Index of Refraction: 1.649
Molar Refractivity: 38.19 cm3
Molar Volume: 104.8 cm3
Polarizability: 15.14×10-24 cm3
Surface Tension: 79.8 dyne/cm
Density of 1H-Purine-2,6-dione, 8-chloro-3,7-dihydro- (9CI) (CAS NO.13548-68-0): 1.779 g/cm3
1H-Purine-2,6-dione, 8-chloro-3,7-dihydro- (9CI) (CAS NO.13548-68-0), its Synonyms are 8-Chloroxanthine ; Xanthine, 8-chloro- (8CI) ; 1H-Purine-2,6-dione, 8-chloro-3,7-dihydro- .