| CAS Number | 1447607-49-9 |
| Catalog Number | AG00HX7F(AGN-PC-0WCYQZ) |
| Chemical Name | 8-BROMO-2-PHENYLIMIDAZO[1,2-C]PYRIMIDIN-5(6H)-ONE |
| IUPAC Name | 8-bromo-2-phenyl-6H-imidazo[1,2-c]pyrimidin-5-one |
| InChI | InChI=1S/C12H8BrN3O/c13-9-6-14-12(17)16-7-10(15-11(9)16)8-4-2-1-3-5-8/h1-7H,(H,14,17) |
| InChI Key | DDWZAWKKWPKNSM-UHFFFAOYSA-N |
| MDL Number | MFCD25542229 |
| Molecular Formula | C12H8BrN3O |
| Molecular Weight | 290.1154 |
| SMILES | BrC1C2N(C=C(C3=CC=CC=C3)N=2)C(=O)NC=1 |
| Synonyms | 8-BROMO-2-PHENYLIMIDAZO[1,2-C]PYRIMIDIN-5(6H)-ONE,
1447607-49-9,
MFCD25542229,
ZINC95803807,
AKOS027332046,
AS-41857,
AX8267084,
X-2369,
|
| Complexity | 352 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 288.985g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 290.12g/mol |
| Monoisotopic Mass | 288.985g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H320-H335
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Packing Group
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Precautionary statements
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P261-P280-P301+P312-P302+P352-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number