| CAS Number | 5900-00-5 |
| Catalog Number | AG01B7W0(AGN-PC-02KBAF) |
| Chemical Name | 4-Bromo-1-phenyl-1H-pyrazol-5-amine |
| IUPAC Name | 4-bromo-2-phenylpyrazol-3-amine |
| InChI | InChI=1S/C9H8BrN3/c10-8-6-12-13(9(8)11)7-4-2-1-3-5-7/h1-6H,11H2 |
| InChI Key | VIFCFRDZUNAODA-UHFFFAOYSA-N |
| MDL Number | MFCD16987752 |
| Molecular Formula | C9H8BrN3 |
| Molecular Weight | 238.0839 |
| SMILES | NC1N(C2=CC=CC=C2)N=CC=1Br |
| Synonyms | 4-bromo-1-phenyl-1H-pyrazol-5-amine,
5900-00-5,
SCHEMBL1816086,
VIFCFRDZUNAODA-UHFFFAOYSA-N,
ZINC75843764,
AKOS017548151,
Z1993522744,
|
| Complexity | 170 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.99g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.088g/mol |
| Monoisotopic Mass | 236.99g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number