| CAS Number | 1094271-28-9 |
| Catalog Number | AG019X6A(AGN-PC-0WOCTD) |
| Chemical Name | 5-[4-(difluoromethoxy)phenyl]-1,2,4-triazin-3-amine |
| IUPAC Name | 5-[4-(difluoromethoxy)phenyl]-1,2,4-triazin-3-amine |
| InChI | InChI=1S/C10H8F2N4O/c11-9(12)17-7-3-1-6(2-4-7)8-5-14-16-10(13)15-8/h1-5,9H,(H2,13,15,16) |
| InChI Key | PFMAPGSSGCWCJF-UHFFFAOYSA-N |
| MDL Number | MFCD11185356 |
| Molecular Formula | C10H8F2N4O |
| Molecular Weight | 238.1935 |
| SMILES | NC1=NC(C2=CC=C(OC(F)F)C=C2)=CN=N1 |
| Synonyms | 5-[4-(difluoromethoxy)phenyl]-1,2,4-triazin-3-amine,
1094271-28-9,
AC1Q52KN,
SCHEMBL2323050,
CTK7B7358,
ZINC36905137,
AKOS008122096,
MCULE-5943826001,
NE53392,
EN300-54157,
Z815264306,
|
| Complexity | 236 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.198g/mol |
| Monoisotopic Mass | 238.067g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 73.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
Lot Number