| CAS Number | 1909336-89-5 |
| Catalog Number | AG01C3QL |
| Chemical Name | tert-butyl N-(6-bromo-1-benzothiophen-2-yl)carbamate |
| IUPAC Name | tert-butyl N-(6-bromo-1-benzothiophen-2-yl)carbamate |
| InChI | InChI=1S/C13H14BrNO2S/c1-13(2,3)17-12(16)15-11-6-8-4-5-9(14)7-10(8)18-11/h4-7H,1-3H3,(H,15,16) |
| InChI Key | SODWYTOTCPXUTA-UHFFFAOYSA-N |
| MDL Number | MFCD29762850 |
| Molecular Formula | C13H14BrNO2S |
| Molecular Weight | 328.2248 |
| SMILES | CC(OC(NC1SC2=C(C=CC(=C2)Br)C=1)=O)(C)C |
| Synonyms | tert-butyl N-(6-bromo-1-benzothiophen-2-yl)carbamate,
1909336-89-5,
AKOS033888005,
ZINC307197852,
Z2380439396,
|
| Complexity | 319 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 326.993g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 328.224g/mol |
| Monoisotopic Mass | 326.993g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.5 |
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Certificate of Analysis
Lot Number