| CAS Number | 1447607-89-7 |
| Catalog Number | AG00AS0E(AGN-PC-0WD6TK) |
| Chemical Name | TERT-BUTYL 5-BROMO-1-METHYL-1H-PYRAZOL-3-YLCARBAMATE |
| IUPAC Name | tert-butyl N-(5-bromo-1-methylpyrazol-3-yl)carbamate |
| InChI | InChI=1S/C9H14BrN3O2/c1-9(2,3)15-8(14)11-7-5-6(10)13(4)12-7/h5H,1-4H3,(H,11,12,14) |
| InChI Key | ZCHBFOBCVXDLRV-UHFFFAOYSA-N |
| MDL Number | MFCD25542350 |
| Molecular Formula | C9H14BrN3O2 |
| Molecular Weight | 276.1304 |
| SMILES | O=C(OC(C)(C)C)NC1=NN(C)C(Br)=C1 |
| Synonyms | 1447607-89-7,
TERT-BUTYL 5-BROMO-1-METHYL-1H-PYRAZOL-3-YLCARBAMATE,
tert-Butyl (5-bromo-1-methyl-1H-pyrazol-3-yl)carbamate,
tert-butyl N-(5-bromo-1-methylpyrazol-3-yl)carbamate,
MFCD25542350,
ZINC95802880,
AKOS025146654,
FCH2409779,
AK164607,
AS-41954,
tert-butyl5-bromo-1-methyl-1H-pyrazol-3-ylcarbamate,
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| Complexity | 242 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 275.027g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 276.134g/mol |
| Monoisotopic Mass | 275.027g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 56.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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