| CAS Number | 519003-04-4 |
| Catalog Number | AG00DLVH(AGN-PC-0OBLFA) |
| Chemical Name | tert-butyl((2-bromothiazol-5-yl)methyl)carbamate |
| IUPAC Name | tert-butyl N-[(2-bromo-1,3-thiazol-5-yl)methyl]carbamate |
| InChI | InChI=1S/C9H13BrN2O2S/c1-9(2,3)14-8(13)12-5-6-4-11-7(10)15-6/h4H,5H2,1-3H3,(H,12,13) |
| InChI Key | YKVJDNHDCQSTFN-UHFFFAOYSA-N |
| MDL Number | MFCD20923801 |
| Molecular Formula | C9H13BrN2O2S |
| Molecular Weight | 293.1807 |
| SMILES | O=C(OC(C)(C)C)NCC1=CN=C(Br)S1 |
| Synonyms | 519003-04-4,
TERT-BUTYL ((2-BROMOTHIAZOL-5-YL)METHYL)CARBAMATE,
tert-Butyl((2-bromothiazol-5-yl)methyl)carbamate,
tert-butyl (2-bromo-1,3-thiazol-5-yl)methylcarbamate,
tert-butyl N-[(2-bromo-1,3-thiazol-5-yl)methyl]carbamate,
SCHEMBL18209793,
YKVJDNHDCQSTFN-UHFFFAOYSA-N,
MFCD20923801,
ZINC95495940,
AKOS027337758,
GS-5456,
KS-00002621,
K-9520,
t-Butyl ((2-bromothiazol-5-yl)methyl)carbamate,
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| Complexity | 233 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 291.988g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 293.179g/mol |
| Monoisotopic Mass | 291.988g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 79.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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