| CAS Number | 1071200-42-4 |
| Catalog Number | AG00HAWQ(AGN-PC-0WNOEJ) |
| Chemical Name | 4-Bromo-1-(methoxymethyl)-1H-pyrazole |
| IUPAC Name | 4-bromo-1-(methoxymethyl)pyrazole |
| InChI | InChI=1S/C5H7BrN2O/c1-9-4-8-3-5(6)2-7-8/h2-3H,4H2,1H3 |
| InChI Key | SGSQVBBVTHMGBT-UHFFFAOYSA-N |
| MDL Number | MFCD18324047 |
| Molecular Formula | C5H7BrN2O |
| Molecular Weight | 191.0259 |
| SMILES | COCN1N=CC(Br)=C1 |
| Synonyms | 4-Bromo-1-(methoxymethyl)-1H-pyrazole,
1071200-42-4,
4-bromo-1-(methoxymethyl)pyrazole,
ZINC62701654,
AKOS014313932,
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| Complexity | 91 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.028g/mol |
| Monoisotopic Mass | 189.974g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 27A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
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Certificate of Analysis
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