-
Name
6-Iodouracil
- EINECS
- CAS No. 4269-94-7
- Article Data7
- CAS DataBase
- Density 2.394 g/cm3
- Solubility
- Melting Point
- Formula C4H3IN2O2
- Boiling Point
- Molecular Weight 237.985
- Flash Point
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Uracil,6-iodo- (7CI,8CI);6-Iodo-1H-pyrimidine-2,4-dione;NSC 51094;
- PSA 65.72000
- LogP -0.33220
6-Iodouracil Chemical Properties
IUPAC Name: 6-Iodo-1H-pyrimidine-2,4-dione
Canonical SMILES: C1=C(NC(=O)NC1=O)I
InChI: InChI=1S/C4H3IN2O2/c5-2-1-3(8)7-4(9)6-2/h1H,(H2,6,7,8,9)
InChIKey: KSLZHGYKGYWHOO-UHFFFAOYSA-N
Molecular Weight: 237.98329 [g/mol]
Molecular Formula: C4H3IN2O2
XLogP3: -0.5
H-Bond Donor: 2
H-Bond Acceptor: 2
Rotatable Bond Count: 0
Tautomer Count: 9
Exact Mass: 237.92392
MonoIsotopic Mass: 237.92392
Topological Polar Surface Area: 58.2
Heavy Atom Count: 9
Complexity: 199
Index of Refraction: 1.705
Molar Refractivity: 38.66 cm3
Molar Volume: 99.4 cm3
Surface Tension: 69.5 dyne/cm
Density of 6-Iodouracil (CAS NO.4269-94-7): 2.39 g/cm3
6-Iodouracil Specification
6-Iodouracil (CAS NO.4269-94-7), its Synonyms are 2,4(1H,3H)-Pyrimidinedione, 6-iodo- ; 6-Iodo-1H-pyrimidine-2,4-dione ; 2,4(1H,3H)-pyrimidinedione, 6-iodo- .
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