| CAS Number | 1337607-03-0 |
| Catalog Number | AG00HSZM(AGN-PC-0WNR1S) |
| Chemical Name | 4-Bromo-1-(2-methylphenyl)pyrazole |
| IUPAC Name | 4-bromo-1-(2-methylphenyl)pyrazole |
| InChI | InChI=1S/C10H9BrN2/c1-8-4-2-3-5-10(8)13-7-9(11)6-12-13/h2-7H,1H3 |
| InChI Key | HMULFHZEMGDGLG-UHFFFAOYSA-N |
| MDL Number | MFCD21100064 |
| Molecular Formula | C10H9BrN2 |
| Molecular Weight | 237.0959 |
| SMILES | BrC=1C=NN(C1)C1=C(C=CC=C1)C |
| Synonyms | 4-bromo-1-(2-methylphenyl)pyrazole,
1337607-03-0,
SCHEMBL671958,
ZINC72193390,
AKOS015946714,
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| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.1g/mol |
| Monoisotopic Mass | 235.995g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
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