| CAS Number | 1698027-00-7 |
| Catalog Number | AG019EUF |
| Chemical Name | tert-butyl 4-(7-bromo-6-chloroquinazolin-4-yl)piperazine-1-carboxylate |
| IUPAC Name | tert-butyl 4-(7-bromo-6-chloroquinazolin-4-yl)piperazine-1-carboxylate |
| InChI | InChI=1S/C17H20BrClN4O2/c1-17(2,3)25-16(24)23-6-4-22(5-7-23)15-11-8-13(19)12(18)9-14(11)20-10-21-15/h8-10H,4-7H2,1-3H3 |
| InChI Key | MXCAHKDRUSKPGB-UHFFFAOYSA-N |
| MDL Number | MFCD31555251 |
| Molecular Formula | C17H20BrClN4O2 |
| Molecular Weight | 427.7233 |
| SMILES | CC(C)(C)OC(=O)N1CCN(CC1)c1ncnc2cc(Br)c(Cl)cc12 |
| Synonyms | tert-butyl 4-(7-bromo-6-chloroquinazolin-4-yl)piperazine-1-carboxylate,
1698027-00-7,
SCHEMBL16637964,
MXCAHKDRUSKPGB-UHFFFAOYSA-N,
ZINC642881970,
CS-0037231,
tert-butyl 4-(7-bromo-6-chloroquinazolin-4-yl)piperazine-1-carboxylate(WXC04824),
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| Complexity | 482 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 426.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 427.727g/mol |
| Monoisotopic Mass | 426.046g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 58.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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