| CAS Number | 438564-36-4 |
| Catalog Number | AG00DHZF(AGN-PC-03OI9K) |
| Chemical Name | 5-Nitro-2-(trifluoromethyl)pyridin-4-amine |
| IUPAC Name | 5-nitro-2-(trifluoromethyl)pyridin-4-amine |
| InChI | InChI=1S/C6H4F3N3O2/c7-6(8,9)5-1-3(10)4(2-11-5)12(13)14/h1-2H,(H2,10,11) |
| InChI Key | PVCDQWOCSKSIQG-UHFFFAOYSA-N |
| MDL Number | MFCD11848354 |
| Molecular Formula | C6H4F3N3O2 |
| Molecular Weight | 207.1101 |
| SMILES | NC1=CC(C(F)(F)F)=NC=C1[N+]([O-])=O |
| Synonyms | 5-Nitro-2-(trifluoromethyl)pyridin-4-amine,
438564-36-4,
SCHEMBL3059793,
DTXSID00625277,
PVCDQWOCSKSIQG-UHFFFAOYSA-N,
MFCD11848354,
ZINC91301609,
AKOS016012958,
AB64809,
DS-5176,
NE40546,
AJ-129745,
4-Amino-5-nitro-2-(trifluoromethyl)pyridine,
CS-0037134,
4-Pyridinamine, 5-nitro-2-(trifluoromethyl)-,
5-NITRO-2-TRIFLUOROMETHYL-PYRIDIN-4-YLAMINE,
Z1889917001,
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| Complexity | 227 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.112g/mol |
| Monoisotopic Mass | 207.026g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 84.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number