| CAS Number | 724704-85-2 |
| Catalog Number | AG0065TM(AGN-PC-015OWN) |
| Chemical Name | 1-(2-Bromoethyl)-3-Methyl-1H-Pyrazole |
| IUPAC Name | 1-(2-bromoethyl)-3-methylpyrazole |
| InChI | InChI=1S/C6H9BrN2/c1-6-2-4-9(8-6)5-3-7/h2,4H,3,5H2,1H3 |
| InChI Key | NBNQHQMRXJRIOI-UHFFFAOYSA-N |
| MDL Number | MFCD02855992 |
| Molecular Formula | C6H9BrN2 |
| Molecular Weight | 189.0531 |
| SMILES | C(CBr)n1nc(cc1)C |
| Synonyms | 1-(2-bromoethyl)-3-methyl-1H-pyrazole,
724704-85-2,
AC1Q2PV0,
SCHEMBL1780286,
CTK5D6150,
DTXSID60587968,
1-(2-bromoethyl)-3-methylpyrazole,
ZINC2584891,
1234AC,
MFCD02855992,
SBB014949,
AKOS006278852,
MCULE-2599842965,
AJ-43497,
W-9808,
C6H9BrN2,
1- -3-METHYL-1H-PYRAZOLE,
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| Complexity | 87.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.056g/mol |
| Monoisotopic Mass | 187.995g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number