| CAS Number | 1022151-52-5 |
| Catalog Number | AG00H9RF(AGN-PC-0WQY6R) |
| Chemical Name | tert-Butyl (6-bromoquinolin-3-yl)carbamate |
| IUPAC Name | tert-butyl N-(6-bromoquinolin-3-yl)carbamate |
| InChI | InChI=1S/C14H15BrN2O2/c1-14(2,3)19-13(18)17-11-7-9-6-10(15)4-5-12(9)16-8-11/h4-8H,1-3H3,(H,17,18) |
| InChI Key | LGKPPAHHVVYFQW-UHFFFAOYSA-N |
| MDL Number | MFCD27665107 |
| Molecular Formula | C14H15BrN2O2 |
| Molecular Weight | 323.1851 |
| SMILES | BrC=1C=C2C=C(C=NC2=CC1)NC(OC(C)(C)C)=O |
| Synonyms | SCHEMBL4071391,
LGKPPAHHVVYFQW-UHFFFAOYSA-N,
tert-butyl (6-bromoquinolin-3-yl)carbamate,
(6-bromo-quinolin-3-yl)-carbamic acid tert-butyl ester,
1022151-52-5,
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| Complexity | 330 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 322.032g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 323.19g/mol |
| Monoisotopic Mass | 322.032g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 51.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
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Certificate of Analysis
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