| CAS Number | 138580-81-1 |
| Catalog Number | AG01B79Y(AGN-PC-0O1LBS) |
| Chemical Name | 6-Bromo-2,4-dichloroquinoline-3-carbonitrile |
| IUPAC Name | 6-bromo-2,4-dichloroquinoline-3-carbonitrile |
| InChI | InChI=1S/C10H3BrCl2N2/c11-5-1-2-8-6(3-5)9(12)7(4-14)10(13)15-8/h1-3H |
| InChI Key | NFMFHDSCFZKRNZ-UHFFFAOYSA-N |
| MDL Number | MFCD30345212 |
| Molecular Formula | C10H3BrCl2N2 |
| Molecular Weight | 301.9542 |
| SMILES | ClC1=C(C#N)C(Cl)=C2C(C=CC(=C2)Br)=N1 |
| Synonyms | 6-bromo-2,4-dichloroquinoline-3-carbonitrile,
138580-81-1,
SCHEMBL18264143,
ZINC220959388,
|
| Complexity | 290 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 299.886g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 301.952g/mol |
| Monoisotopic Mass | 299.886g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 36.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
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Certificate of Analysis
Lot Number