| CAS Number | 1312697-86-1 |
| Catalog Number | AG01DX0V |
| Chemical Name | 2-Bromo-5-((tert-butoxycarbonyl)amino)thiazole-4-carboxylic acid |
| IUPAC Name | 2-bromo-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-4-carboxylic acid |
| InChI | InChI=1S/C9H11BrN2O4S/c1-9(2,3)16-8(15)12-5-4(6(13)14)11-7(10)17-5/h1-3H3,(H,12,15)(H,13,14) |
| InChI Key | NLIIGKBWKJQUEF-UHFFFAOYSA-N |
| MDL Number | MFCD21607195 |
| Molecular Formula | C9H11BrN2O4S |
| Molecular Weight | 323.1636 |
| SMILES | CC(OC(NC1=C(C(O)=O)N=C(Br)S1)=O)(C)C |
| Synonyms | 1312697-86-1,
5-(BOC-AMINO)-2-BROMO-THIAZOLE-4-CARBOXYLIC ACID,
2-Bromo-5-((tert-butoxycarbonyl)amino)thiazole-4-carboxylic acid,
SCHEMBL2517814,
NLIIGKBWKJQUEF-UHFFFAOYSA-N,
ZINC91690917,
FT-0755729,
2-bromo-5-(tert-butoxycarbonylamino)thiazole-4-carboxylic acid,
2-bromo-5-(tert-butoxycarbonyl-amino)thiazole-4-carboxylic acid,
2-bromo-5-(tert-butoxycarbonylamino)-thiazole-4-carboxylic acid,
4-Thiazolecarboxylic acid, 2-bromo-5-[[(1,1-dimethylethoxy)carbonyl]amino]-,
2-bromo-5-[[(1,1-dimethylethoxy)carbonyl]amino]-4-Thiazolecarboxylic acid,
|
| Complexity | 321 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 321.962g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 323.161g/mol |
| Monoisotopic Mass | 321.962g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 117A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number