| CAS Number | 1228108-74-4 |
| Catalog Number | AG000JIM(AGN-PC-0WD2RD) |
| Chemical Name | Benzenamine, 2-bromo-6-chloro-4-(trifluoromethoxy)- |
| IUPAC Name | 2-bromo-6-chloro-4-(trifluoromethoxy)aniline |
| InChI | InChI=1S/C7H4BrClF3NO/c8-4-1-3(14-7(10,11)12)2-5(9)6(4)13/h1-2H,13H2 |
| InChI Key | DIHNAXVPGYEEIO-UHFFFAOYSA-N |
| MDL Number | MFCD16618925 |
| Molecular Formula | C7H4BrClF3NO |
| Molecular Weight | 290.4650 |
| SMILES | NC1=C(Cl)C=C(OC(F)(F)F)C=C1Br |
| Synonyms | 2-BROMO-6-CHLORO-4-(TRIFLUOROMETHOXY)ANILINE,
1228108-74-4,
SCHEMBL19643366,
CTK4B3273,
DTXSID20681476,
MFCD16618925,
ZINC65336836,
AKOS015835109,
FCH1345901,
PS-11360,
AJ-114894,
AX8258129,
TR-034979,
CS-0060166,
K-1729,
Benzenamine, 2-bromo-6-chloro-4-(trifluoromethoxy)-,
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| Complexity | 204 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 288.912g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 290.464g/mol |
| Monoisotopic Mass | 288.912g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number