| CAS Number | 105994-55-6 |
| Catalog Number | AG007W82(AGN-PC-00NLWV) |
| Chemical Name | 4-Bromo-1-methyl-3-phenyl-1H-pyrazole |
| IUPAC Name | 4-bromo-1-methyl-3-phenylpyrazole |
| InChI | InChI=1S/C10H9BrN2/c1-13-7-9(11)10(12-13)8-5-3-2-4-6-8/h2-7H,1H3 |
| InChI Key | RHOKURUCEBPOIH-UHFFFAOYSA-N |
| MDL Number | MFCD05664675 |
| Molecular Formula | C10H9BrN2 |
| Molecular Weight | 237.0959 |
| SMILES | CN1N=C(C2=CC=CC=C2)C(Br)=C1 |
| Synonyms | 4-Bromo-1-methyl-3-phenyl-1H-pyrazole,
105994-55-6,
1H-Pyrazole, 4-bromo-1-methyl-3-phenyl-,
SCHEMBL3922875,
CTK6I2068,
RHOKURUCEBPOIH-UHFFFAOYSA-N,
ZINC2548469,
ZX-CM012589,
CB0115,
MFCD05664675,
FCH1376792,
AJ-39539,
Y-1770,
1-METHYL-3-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID,97%,
105994-56-7,
|
| Complexity | 168 |
| 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 | 2.6 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
\N
|
|
Hazard statements
|
H302-H315-H319-H335
|
|
Packing Group
|
\N
|
|
Precautionary statements
|
P261-P305+P351+P338
|
|
UN Code
|
\N
|
Certificate of Analysis
Lot Number