| CAS Number | 1434142-09-2 |
| Catalog Number | AG00HWX2(AGN-PC-0WBSJQ) |
| Chemical Name | methyl 5-bromo-1-(tetrahydropyran-2-yl)-1h-pyrazole-4-carboxylate |
| IUPAC Name | methyl 5-bromo-1-(oxan-2-yl)pyrazole-4-carboxylate |
| InChI | InChI=1S/C10H13BrN2O3/c1-15-10(14)7-6-12-13(9(7)11)8-4-2-3-5-16-8/h6,8H,2-5H2,1H3 |
| InChI Key | LPVKDOWUUBOZJX-UHFFFAOYSA-N |
| MDL Number | MFCD26959101 |
| Molecular Formula | C10H13BrN2O3 |
| Molecular Weight | 289.1258 |
| SMILES | COC(=O)c1cnn(C2CCCCO2)c1Br |
| Synonyms | 1434142-09-2,
Methyl 5-bromo-1-(tetrahydropyran-2-yl)-1H-pyrazole-4-carboxylate,
Methyl 5-bromo-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazole-4-carboxylate,
methyl 5-bromo-1-(oxan-2-yl)-1H-pyrazole-4-carboxylate,
Methyl 5-bromo-1-tetrahydropyran-2-yl-pyrazole-4-carboxylate,
MFCD26959101,
AKOS025289619,
SB11158,
KS-000004A5,
AK170895,
AS-33921,
CS-0049004,
Q-5015,
methyl 5-bromo-1-(oxan-2-yl)pyrazole-4-carboxylate,
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| Complexity | 264 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 288.011g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 289.129g/mol |
| Monoisotopic Mass | 288.011g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 53.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
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