| CAS Number | 108354-38-7 |
| Catalog Number | AG007CQP(AGN-PC-07HBWU) |
| Chemical Name | 4-Bromo-1-(2-chloroethyl)-3-methyl-1H-pyrazole |
| IUPAC Name | 4-bromo-1-(2-chloroethyl)-3-methylpyrazole |
| InChI | InChI=1S/C6H8BrClN2/c1-5-6(7)4-10(9-5)3-2-8/h4H,2-3H2,1H3 |
| InChI Key | URDUWHKZXWHRRS-UHFFFAOYSA-N |
| MDL Number | MFCD02855998 |
| Molecular Formula | C6H8BrClN2 |
| Molecular Weight | 223.4981 |
| SMILES | N1=C(C)C(=CN1CCCl)Br |
| Synonyms | 4-BROMO-1-(2-CHLOROETHYL)-3-METHYL-1H-PYRAZOLE,
108354-38-7,
CTK4A6004,
DTXSID20672526,
ZX-CM016774,
FCH932787,
MFCD02855998,
ZINC19093907,
AKOS006338107,
AJ-72264,
W-9809,
4-bromo-1-(2-chloroethyl)-3-methylpyrazole,
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| Complexity | 112 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.956g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.498g/mol |
| Monoisotopic Mass | 221.956g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number