| CAS Number | 1820740-59-7 |
| Catalog Number | AG00I149(AGN-PC-0WR0PQ) |
| Chemical Name | 2-Bromo-6-nitro-4-(trifluoromethoxy)phenol |
| IUPAC Name | 2-bromo-6-nitro-4-(trifluoromethoxy)phenol |
| InChI | InChI=1S/C7H3BrF3NO4/c8-4-1-3(16-7(9,10)11)2-5(6(4)13)12(14)15/h1-2,13H |
| InChI Key | AOCPREMUOFIAQK-UHFFFAOYSA-N |
| MDL Number | MFCD27665001 |
| Molecular Formula | C7H3BrF3NO4 |
| Molecular Weight | 302.0022 |
| SMILES | OC1=C(Br)C=C(OC(F)(F)F)C=C1[N+]([O-])=O |
| Synonyms | 2-BROMO-6-NITRO-4-(TRIFLUOROMETHOXY)PHENOL,
1820740-59-7,
MFCD27665001,
ZINC96028518,
PC57035,
PS-10442,
|
| Complexity | 269 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 300.92g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 302.003g/mol |
| Monoisotopic Mass | 300.92g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 75.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
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Certificate of Analysis
Lot Number