| CAS Number | 1161002-05-6 |
| Catalog Number | AG000BND(AGN-PC-0WNJI6) |
| Chemical Name | 3H-Cyclopenta[c]quinoline, 4-(6-bromo-1,3-benzodioxol-5-yl)-3a,4,5,9b-tetrahydro-, (3aS,4R,9bR)- |
| IUPAC Name | (3aR,4R,9bS)-4-(6-bromo-1,3-benzodioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline |
| InChI | InChI=1S/C19H16BrNO2/c20-15-9-18-17(22-10-23-18)8-14(15)19-13-6-3-5-11(13)12-4-1-2-7-16(12)21-19/h1-5,7-9,11,13,19,21H,6,10H2/t11-,13-,19-/m1/s1 |
| InChI Key | YOLTZIVRJAPVPH-MJCKAROISA-N |
| MDL Number | MFCD16618401 |
| Molecular Formula | C19H16BrNO2 |
| Molecular Weight | 370.2398 |
| SMILES | Brc1cc2OCOc2cc1[C@@H]1Nc2ccccc2[C@@H]2[C@H]1CC=C2 |
| Synonyms | G-15,
1161002-05-6,
AC1LMJHT,
CTK8E6722,
DTXSID60360596,
ZINC871833,
AKOS025294131,
RT-017394,
B5469,
(3aR,4R,9bS)-4-(6-bromo-1,3-benzodioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline,
CID1131380,
SMR000177274,
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| Complexity | 484 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 369.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 370.246g/mol |
| Monoisotopic Mass | 369.036g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 30.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number