| CAS Number | 785777-93-7 |
| Catalog Number | AG01AID1(AGN-PC-0OI5I7) |
| Chemical Name | 5-Bromo-2-hydrazinyl-4-(trifluoromethyl)pyrimidine |
| IUPAC Name | [5-bromo-4-(trifluoromethyl)pyrimidin-2-yl]hydrazine |
| InChI | InChI=1S/C5H4BrF3N4/c6-2-1-11-4(13-10)12-3(2)5(7,8)9/h1H,10H2,(H,11,12,13) |
| InChI Key | ONVDOBADTAZOCN-UHFFFAOYSA-N |
| MDL Number | MFCD18839011 |
| Molecular Formula | C5H4BrF3N4 |
| Molecular Weight | 257.0113 |
| SMILES | NNC1=NC(C(F)(F)F)=C(Br)C=N1 |
| Synonyms | 5-bromo-2-hydrazinyl-4-(trifluoromethyl)pyrimidine,
EN300-77451,
785777-93-7,
ZINC36457499,
AKOS023166129,
FCH1327762,
CID11817725,
[5-bromo-4-(trifluoromethyl)pyrimidin-2-yl]hydrazine,
|
| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.957g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.014g/mol |
| Monoisotopic Mass | 255.957g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 63.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
Lot Number