| CAS Number | 119485-57-3 |
| Catalog Number | AG01AURV(AGN-PC-0LBKC7) |
| Chemical Name | tert-Butyl N-(4-Bromothiophen-3-yl)carbamate |
| IUPAC Name | tert-butyl N-(4-bromothiophen-3-yl)carbamate |
| InChI | InChI=1S/C9H12BrNO2S/c1-9(2,3)13-8(12)11-7-5-14-4-6(7)10/h4-5H,1-3H3,(H,11,12) |
| InChI Key | PBMARQLXQZRXFG-UHFFFAOYSA-N |
| MDL Number | MFCD01860065 |
| Molecular Formula | C9H12BrNO2S |
| Molecular Weight | 278.1661 |
| SMILES | CC(C)(C)OC(=O)NC1=CSC=C1Br |
| Synonyms | Tert-butyl N-(4-bromothiophen-3-yl)carbamate,
119485-57-3,
AC1NB739,
ZINC2575614,
CID4463503,
tert-butyl (4-bromothiophen-3-yl)carbamate,
|
| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 276.977g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.164g/mol |
| Monoisotopic Mass | 276.977g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
Lot Number