| CAS Number | 1260787-69-6 |
| Catalog Number | AG01A07M(AGN-PC-0WO430) |
| Chemical Name | 1-(3-bromophenyl)-5-methyl-1H-pyrazole |
| IUPAC Name | 1-(3-bromophenyl)-5-methylpyrazole |
| InChI | InChI=1S/C10H9BrN2/c1-8-5-6-12-13(8)10-4-2-3-9(11)7-10/h2-7H,1H3 |
| InChI Key | SOKRUOCNOJWGDW-UHFFFAOYSA-N |
| MDL Number | MFCD15527656 |
| Molecular Formula | C10H9BrN2 |
| Molecular Weight | 237.0959 |
| SMILES | CC1N(C2=CC(Br)=CC=C2)N=CC=1 |
| Synonyms | 1-(3-BROMOPHENYL)-5-METHYL-1H-PYRAZOLE,
1260787-69-6,
SCHEMBL18092936,
ZINC44318329,
AKOS010086009,
MCULE-5583638380,
NE27023,
Z1428014101,
|
| 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 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number