| CAS Number | 1880073-90-4 |
| Catalog Number | AG019EVF |
| Chemical Name | TERT-BUTYL (3-(4-BROMO-1H-PYRAZOL-1-YL)PROPYL)CARBAMATE |
| IUPAC Name | tert-butyl N-[3-(4-bromopyrazol-1-yl)propyl]carbamate |
| InChI | InChI=1S/C11H18BrN3O2/c1-11(2,3)17-10(16)13-5-4-6-15-8-9(12)7-14-15/h7-8H,4-6H2,1-3H3,(H,13,16) |
| InChI Key | QYISOPOXUWTEOS-UHFFFAOYSA-N |
| MDL Number | MFCD30529691 |
| Molecular Formula | C11H18BrN3O2 |
| Molecular Weight | 304.1835 |
| SMILES | CC(OC(NCCCN1N=CC(Br)=C1)=O)(C)C |
| Synonyms | tert-butyl (3-(4-bromo-1H-pyrazol-1-yl)propyl)carbamate,
1880073-90-4,
SCHEMBL19027486,
ZINC288654676,
CS-0035584,
tert-butyl (3-(4-bromo-1H-pyrazol-1-yl)propyl)carbamate(WXC06802),
|
| Complexity | 256 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 303.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 304.188g/mol |
| Monoisotopic Mass | 303.058g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 56.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
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