| CAS Number | 1423029-46-2 |
| Catalog Number | AG01A2O8 |
| Chemical Name | 4-(4-bromo-1H-pyrazol-1-yl)-2-(trifluoromethyl)benzene-1-carboximidamide dihydrochloride |
| IUPAC Name | 4-(4-bromopyrazol-1-yl)-2-(trifluoromethyl)benzenecarboximidamide;dihydrochloride |
| InChI | InChI=1S/C11H8BrF3N4.2ClH/c12-6-4-18-19(5-6)7-1-2-8(10(16)17)9(3-7)11(13,14)15;;/h1-5H,(H3,16,17);2*1H |
| InChI Key | KUUTXYQLXRJFNP-UHFFFAOYSA-N |
| MDL Number | MFCD22578674 |
| Molecular Formula | C11H10BrCl2F3N4 |
| Molecular Weight | 406.0291 |
| SMILES | Cl.Cl.NC(C1=C(C(F)(F)F)C=C(N2N=CC(Br)=C2)C=C1)=N |
| Synonyms | 4-(4-bromo-1H-pyrazol-1-yl)-2-(trifluoromethyl)benzene-1-carboximidamide dihydrochloride,
1423029-46-2,
MCULE-6853065058,
NE41989,
EN300-118245,
Z1517008725,
|
| Complexity | 349 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 403.942g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 406.028g/mol |
| Monoisotopic Mass | 403.942g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 67.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number