| CAS Number | 1797894-71-3 |
| Catalog Number | AG01CBO4(AGN-PC-0WBNGG) |
| Chemical Name | (1r,4r)-4-(6,8-Dibromo-3(4H)-quinazolinyl)-cyclohexanol |
| IUPAC Name | 4-(6,8-dibromo-4H-quinazolin-3-yl)cyclohexan-1-ol |
| InChI | InChI=1S/C14H16Br2N2O/c15-10-5-9-7-18(8-17-14(9)13(16)6-10)11-1-3-12(19)4-2-11/h5-6,8,11-12,19H,1-4,7H2 |
| InChI Key | ARMLBUAMNBQDHJ-UHFFFAOYSA-N |
| MDL Number | MFCD30741562 |
| Molecular Formula | C14H16Br2N2O |
| Molecular Weight | 388.0976 |
| SMILES | OC1CCC(CC1)N2Cc3cc(Br)cc(Br)c3N=C2 |
| Synonyms | 4-(6,8-dibromoquinazolin-3(4H)-yl)cyclohexanol,
1797894-71-3,
STL483673,
4-(6,8-Dibromo-3(4H)-quinazolinyl)-cyclohexanol,
4-(6, 8-Dibromo-4H-quinazolin-3-yl)cyclohexanol,
|
| Complexity | 344 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 387.961g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 388.103g/mol |
| Monoisotopic Mass | 385.963g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 35.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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Certificate of Analysis
Lot Number