| CAS Number | 1153039-45-2 |
| Catalog Number | AG01A2MQ(AGN-PC-0WOABQ) |
| Chemical Name | 1-(2-bromophenyl)-1H-pyrazol-4-amine |
| IUPAC Name | 1-(2-bromophenyl)pyrazol-4-amine |
| InChI | InChI=1S/C9H8BrN3/c10-8-3-1-2-4-9(8)13-6-7(11)5-12-13/h1-6H,11H2 |
| InChI Key | OGYVEUYKTGXLMP-UHFFFAOYSA-N |
| MDL Number | MFCD12134515 |
| Molecular Formula | C9H8BrN3 |
| Molecular Weight | 238.0839 |
| SMILES | NC1=CN(C2=C(Br)C=CC=C2)N=C1 |
| Synonyms | 1-(2-bromophenyl)-1H-pyrazol-4-amine,
1153039-45-2,
SCHEMBL18394389,
ZINC35779136,
AKOS009563532,
NE26132,
|
| Complexity | 176 |
| 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 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number