| CAS Number | 1204810-86-5 |
| Catalog Number | AG00935G |
| Chemical Name | 3-Bromo-4-chloro-6-ethoxyquinoline |
| IUPAC Name | 3-bromo-4-chloro-6-ethoxyquinoline |
| InChI | InChI=1S/C11H9BrClNO/c1-2-15-7-3-4-10-8(5-7)11(13)9(12)6-14-10/h3-6H,2H2,1H3 |
| InChI Key | HKIOCHWWMNQDEC-UHFFFAOYSA-N |
| MDL Number | MFCD13192956 |
| Molecular Formula | C11H9BrClNO |
| Molecular Weight | 286.5523 |
| SMILES | CCOC1=CC=C2N=CC(Br)=C(Cl)C2=C1 |
| Synonyms | 3-Bromo-4-chloro-6-ethoxyquinoline,
1204810-86-5,
DTXSID30671166,
MFCD13192956,
CS-0061650,
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| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 284.956g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 286.553g/mol |
| Monoisotopic Mass | 284.956g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 22.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
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Certificate of Analysis
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