| CAS Number | 878259-07-5 |
| Catalog Number | AG019PLJ(AGN-PC-0WCNJN) |
| Chemical Name | 1-(furan-2-ylmethyl)-5-(trifluoromethyl)-1H-1,3-benzodiazol-2-amine |
| IUPAC Name | 1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-amine |
| InChI | InChI=1S/C13H10F3N3O/c14-13(15,16)8-3-4-11-10(6-8)18-12(17)19(11)7-9-2-1-5-20-9/h1-6H,7H2,(H2,17,18) |
| InChI Key | QYVPLFHAOLRMBY-UHFFFAOYSA-N |
| MDL Number | MFCD08246113 |
| Molecular Formula | C13H10F3N3O |
| Molecular Weight | 281.2332 |
| SMILES | NC1=NC(C=C2C(F)(F)F)=C(C=C2)N1CC3=CC=CO3 |
| Synonyms | 878259-07-5,
1-(2-furylmethyl)-5-(trifluoromethyl)-1H-benzimidazol-2-amine,
1-(furan-2-ylmethyl)-5-(trifluoromethyl)-1H-1,3-benzodiazol-2-amine,
AC1Q52YH,
CTK7E1008,
ZINC8013612,
AKOS005206562,
MCULE-2162821687,
EN300-24216,
L-2928,
F2113-0652,
Z190662840,
1-(furan-2-ylmethyl)-5-(trifluoromethyl)-1,3-benzodiazol-2-amine,
1-[(furan-2-yl)methyl]-5-(trifluoromethyl)-1H-1,3-benzodiazol-2-amine,
1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-amine,
|
| Complexity | 352 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 281.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 281.238g/mol |
| Monoisotopic Mass | 281.078g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number