| CAS Number | 1820683-11-1 |
| Catalog Number | AG00I0SN |
| Chemical Name | 7-Bromo-2-(di-t-butoxycarbonylamino)quinazoline |
| IUPAC Name | tert-butyl N-(7-bromoquinazolin-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate |
| InChI | InChI=1S/C18H22BrN3O4/c1-17(2,3)25-15(23)22(16(24)26-18(4,5)6)14-20-10-11-7-8-12(19)9-13(11)21-14/h7-10H,1-6H3 |
| InChI Key | FUQLBDUAXARQAS-UHFFFAOYSA-N |
| MDL Number | MFCD28101652 |
| Molecular Formula | C18H22BrN3O4 |
| Molecular Weight | 424.2890 |
| SMILES | Brc1ccc2c(c1)nc(nc2)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C |
| Synonyms | 7-Bromo-2-(di-t-butoxycarbonylamino)quinazoline,
1820683-11-1,
ZINC169726164,
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| Complexity | 502 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 423.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 424.295g/mol |
| Monoisotopic Mass | 423.079g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 81.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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