| CAS Number | 1193388-34-9 |
| Catalog Number | AG019VBL(AGN-PC-0WOBH7) |
| Chemical Name | 4-[4-bromo-5-(trifluoromethyl)-1H-pyrazol-1-yl]aniline |
| IUPAC Name | 4-[4-bromo-5-(trifluoromethyl)pyrazol-1-yl]aniline |
| InChI | InChI=1S/C10H7BrF3N3/c11-8-5-16-17(9(8)10(12,13)14)7-3-1-6(15)2-4-7/h1-5H,15H2 |
| InChI Key | XMNQYPCZDQTZNI-UHFFFAOYSA-N |
| MDL Number | MFCD12912760 |
| Molecular Formula | C10H7BrF3N3 |
| Molecular Weight | 306.0819 |
| SMILES | NC1=CC=C(N2C(C(F)(F)F)=C(Br)C=N2)C=C1 |
| Synonyms | 4-[4-bromo-5-(trifluoromethyl)-1H-pyrazol-1-yl]aniline,
1193388-34-9,
AC1Q51WD,
CTK7D7610,
ZINC36378528,
AKOS023166100,
NE22892,
EN300-44817,
|
| Complexity | 266 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 304.978g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 306.086g/mol |
| Monoisotopic Mass | 304.978g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number