| CAS Number | 119729-96-3 |
| Catalog Number | AG00HF41(AGN-PC-0NZXUQ) |
| Chemical Name | 4-Bromo-5-chloropyridazin-3(2H)-one |
| IUPAC Name | 5-bromo-4-chloro-1H-pyridazin-6-one |
| InChI | InChI=1S/C4H2BrClN2O/c5-3-2(6)1-7-8-4(3)9/h1H,(H,8,9) |
| InChI Key | BGKSUIQTVRJCRP-UHFFFAOYSA-N |
| MDL Number | MFCD23106328 |
| Molecular Formula | C4H2BrClN2O |
| Molecular Weight | 209.4285 |
| SMILES | BrC=1C(NN=CC1Cl)=O |
| Synonyms | 4-Bromo-5-chloro-3(2H)-pyridazinone,
119729-96-3,
4-bromo-5-chloro-2,3-dihydropyridazin-3-one,
MFCD23106328,
ZINC95743132,
PB36737,
SB10662,
AS-51865,
CS-0050983,
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| Complexity | 211 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.904g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.427g/mol |
| Monoisotopic Mass | 207.904g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 41.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
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Certificate of Analysis
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