| CAS Number | 1373232-52-0 |
| Catalog Number | AG00134P(AGN-PC-0WNRNJ) |
| Chemical Name | 4-Bromo-5-methyl-2-(oxan-2-yl)pyrazole-3-carbaldehyde |
| IUPAC Name | 4-bromo-5-methyl-2-(oxan-2-yl)pyrazole-3-carbaldehyde |
| InChI | InChI=1S/C10H13BrN2O2/c1-7-10(11)8(6-14)13(12-7)9-4-2-3-5-15-9/h6,9H,2-5H2,1H3 |
| InChI Key | GENKRBNIUBVSGV-UHFFFAOYSA-N |
| MDL Number | MFCD22192548 |
| Molecular Formula | C10H13BrN2O2 |
| Molecular Weight | 273.1264 |
| SMILES | O=Cc1c(Br)c(nn1C1CCCCO1)C |
| Synonyms | 1373232-52-0,
4-Bromo-5-methyl-2-(oxan-2-yl)pyrazole-3-carbaldehyde,
4-Bromo-3-methyl-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazole-5-carbaldehyde,
ACMC-209cbh,
CTK8B0603,
DTXSID60742939,
ANW-20235,
AX8283948,
TC-108980,
V2686,
B-8968,
4-Bromo-3-methyl-1-(oxan-2-yl)-1H-pyrazole-5-carbaldehyde,
1H-Pyrazole-5-carboxaldehyde, 4-bromo-3-methyl-1-(tetrahydro-2H-pyran-2-yl)-,
C10H13BrN2O2,
GENKRBNIUBVSGV-UHFFFAOYSA-N,
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| Complexity | 240 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.01604g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 273.13g/mol |
| Monoisotopic Mass | 272.01604g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 44.1Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
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