| CAS Number | 1435753-36-8 |
| Catalog Number | AG00MSZW(AGN-PC-3H4FEA) |
| Chemical Name | tert-butyl N-[2-(4-bromo-1H-pyrazol-1-yl)ethyl]carbamate |
| IUPAC Name | tert-butyl N-[2-(4-bromopyrazol-1-yl)ethyl]carbamate |
| InChI | InChI=1S/C10H16BrN3O2/c1-10(2,3)16-9(15)12-4-5-14-7-8(11)6-13-14/h6-7H,4-5H2,1-3H3,(H,12,15) |
| InChI Key | YSFSTCBXRVYOTH-UHFFFAOYSA-N |
| MDL Number | MFCD30284939 |
| Molecular Formula | C10H16BrN3O2 |
| Molecular Weight | 290.1569 |
| SMILES | O=C(NCCN1N=CC(Br)=C1)OC(C)(C)C |
| Synonyms | 1435753-36-8,
tert-butyl (2-(4-bromo-1h-pyrazol-1-yl)ethyl)carbamate,
AS-49881,
A1-05847,
Carbamic acid, N-[2-(4-bromo-1H-pyrazol-1-yl)ethyl]-, 1,1-dimethylethyl ester,
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| Complexity | 243 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 289.04259g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 290.16g/mol |
| Monoisotopic Mass | 289.04259g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 56.2Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
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