| CAS Number | 909186-02-3 |
| Catalog Number | AG00IGCK |
| Chemical Name | 3-Bromopyrido[2,3-d]pyridazin-8(7H)-one |
| IUPAC Name | 3-bromo-7H-pyrido[2,3-d]pyridazin-8-one |
| InChI | InChI=1S/C7H4BrN3O/c8-5-1-4-2-10-11-7(12)6(4)9-3-5/h1-3H,(H,11,12) |
| InChI Key | DFJTZYVLCLRQQB-UHFFFAOYSA-N |
| MDL Number | MFCD21340231 |
| Molecular Formula | C7H4BrN3O |
| Molecular Weight | 226.0302 |
| SMILES | O=C1C2=C(C=C(Br)C=N2)C=NN1 |
| Synonyms | 3-BROMOPYRIDO[2,3-D]PYRIDAZIN-8(7H)-ONE,
909186-02-3,
3-bromo-Pyrido[2,3-d]pyridazin-8(7H)-one,
SCHEMBL2952293,
DTXSID90738385,
DFJTZYVLCLRQQB-UHFFFAOYSA-N,
MFCD21340231,
ZINC95831403,
AK342122,
AS-42288,
DA-01427,
FT-0703809,
Pyrido[2,3-d]pyridazin-8(7H)-one, 3-bromo-,
|
| Complexity | 231 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.954g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.033g/mol |
| Monoisotopic Mass | 224.954g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 54.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number