| CAS Number | 202259-06-1 |
| Catalog Number | AG00285A(AGN-PC-0LNTBO) |
| Chemical Name | Quinoline, 5-broMo-8-(phenylMethoxy)- |
| IUPAC Name | 5-bromo-8-phenylmethoxyquinoline |
| InChI | InChI=1S/C16H12BrNO/c17-14-8-9-15(16-13(14)7-4-10-18-16)19-11-12-5-2-1-3-6-12/h1-10H,11H2 |
| InChI Key | LZYYBSWLPXPHAO-UHFFFAOYSA-N |
| MDL Number | MFCD03827565 |
| Molecular Formula | C16H12BrNO |
| Molecular Weight | 314.1766 |
| SMILES | BrC1=C2C(N=CC=C2)=C(OCC2=CC=CC=C2)C=C1 |
| Synonyms | 8-(benzyloxy)-5-bromoquinoline,
202259-06-1,
Quinoline, 5-bromo-8-(phenylmethoxy)-,
AC1NQ4BV,
5-bromo-8-benzyloxyquinoline,
5-Bromo-8-(benzyloxy)quinoline,
SCHEMBL13625118,
5-bromo-8-phenylmethoxyquinoline,
CTK0J9204,
DTXSID70409107,
ZINC206289,
AKOS001676874,
MCULE-4970086837,
5-bromo-8-phenylmethoxy-quinoline,
CID5169406,
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| Complexity | 280 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 313.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 314.182g/mol |
| Monoisotopic Mass | 313.01g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 22.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number