| CAS Number | 860193-45-9 |
| Catalog Number | AG00IDUW(AGN-PC-0WAJS4) |
| Chemical Name | 5-Iodoquinazolin-4(3H)-one |
| IUPAC Name | 5-iodo-3H-quinazolin-4-one |
| InChI | InChI=1S/C8H5IN2O/c9-5-2-1-3-6-7(5)8(12)11-4-10-6/h1-4H,(H,10,11,12) |
| InChI Key | NLTHTTIZUVYMQH-UHFFFAOYSA-N |
| MDL Number | MFCD09954850 |
| Molecular Formula | C8H5IN2O |
| Molecular Weight | 272.0426 |
| SMILES | OC1=C2C(C=CC=C2I)=NC=N1 |
| Synonyms | 5-Iodoquinazolin-4(3H)-one,
860193-45-9,
5-IODOQUINAZOLIN-4-OL,
5-Iodoquinazolin-4(1H)-one,
4(3H)-Quinazolinone,5-iodo-,
5-iodo-4(3H)-Quinazolinone,
4(3H)-Quinazolinone, 5-iodo-,
5-IODO-3H-QUINAZOLIN-4-ONE,
MFCD09954850,
ZINC26894389,
AKOS022185729,
AKOS026727557,
NE57846,
AJ-82823,
AS-48888,
4CH-018741,
N/A,
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| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.945g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.045g/mol |
| Monoisotopic Mass | 271.945g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 41.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number