| CAS Number | 1350323-85-1 |
| Catalog Number | AG00IL2I(AGN-PC-0WG3IZ) |
| Chemical Name | 4-Bromo-3-methoxy-1-methyl-1H-pyrazole |
| IUPAC Name | 4-bromo-3-methoxy-1-methylpyrazole |
| InChI | InChI=1S/C5H7BrN2O/c1-8-3-4(6)5(7-8)9-2/h3H,1-2H3 |
| InChI Key | GSGDRYZMVCJXPM-UHFFFAOYSA-N |
| MDL Number | MFCD28361217 |
| Molecular Formula | C5H7BrN2O |
| Molecular Weight | 191.0259 |
| SMILES | COc1nn(cc1Br)C |
| Synonyms | 4-bromo-3-methoxy-1-methyl-1H-pyrazole,
1350323-85-1,
SCHEMBL1357367,
GSGDRYZMVCJXPM-UHFFFAOYSA-N,
MFCD28361217,
AKOS023838275,
ZINC115957608,
AS-54359,
CS-0050988,
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| Complexity | 101 |
| 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 | 1 |
| Topological Polar Surface Area | 27A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
Lot Number