| CAS Number | 1744-23-6 |
| Catalog Number | AG01F8UY(AGN-PC-3H49AP) |
| Chemical Name | 1-(4-Bromophenoxy)-2-nitro-4-(trifluoromethyl)benzene |
| IUPAC Name | 1-(4-bromophenoxy)-2-nitro-4-(trifluoromethyl)benzene |
| InChI | InChI=1S/C13H7BrF3NO3/c14-9-2-4-10(5-3-9)21-12-6-1-8(13(15,16)17)7-11(12)18(19)20/h1-7H |
| InChI Key | MZXHTXIJHDDHNC-UHFFFAOYSA-N |
| MDL Number | MFCD00511818 |
| Molecular Formula | C13H7BrF3NO3 |
| Molecular Weight | 362.0988 |
| SMILES | Brc1ccc(cc1)Oc1ccc(cc1[N+](=O)[O-])C(F)(F)F |
| Synonyms | 1744-23-6,
4-Bromo-2'-nitro-4'-(trifluoromethyl)diphenyl ether,
1-(4-bromophenoxy)-2-nitro-4-(trifluoromethyl)benzene,
ZINC31829492,
AKOS008922832,
|
| Complexity | 367 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 360.956g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 362.102g/mol |
| Monoisotopic Mass | 360.956g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number