| CAS Number | 1881295-82-4 |
| Catalog Number | AG00I29X(AGN-PC-0WQZWF) |
| Chemical Name | Benzyl 6-bromo-3,4-dihydro-2H-quinoline-1-carboxylate |
| IUPAC Name | benzyl 6-bromo-3,4-dihydro-2H-quinoline-1-carboxylate |
| InChI | InChI=1S/C17H16BrNO2/c18-15-8-9-16-14(11-15)7-4-10-19(16)17(20)21-12-13-5-2-1-3-6-13/h1-3,5-6,8-9,11H,4,7,10,12H2 |
| InChI Key | OLINVFQAMKMSPQ-UHFFFAOYSA-N |
| MDL Number | MFCD29059789 |
| Molecular Formula | C17H16BrNO2 |
| Molecular Weight | 346.2184 |
| SMILES | O=C(N1CCCC2=C1C=CC(Br)=C2)OCC3=CC=CC=C3 |
| Synonyms | 1881295-82-4,
Benzyl 6-bromo-3,4-dihydroquinoline-1(2H)-carboxylate,
ZINC261494042,
BENZYL 6-BROMO-3,4-DIHYDRO-2H-QUINOLINE-1-CARBOXYLATE,
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| Complexity | 357 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 345.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 346.224g/mol |
| Monoisotopic Mass | 345.036g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
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Certificate of Analysis
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