| CAS Number | 845866-77-5 |
| Catalog Number | AG00G46J |
| Chemical Name | 2-Bromo-6-iodo-4-(trifluoromethoxy)aniline |
| IUPAC Name | 2-bromo-6-iodo-4-(trifluoromethoxy)aniline |
| InChI | InChI=1S/C7H4BrF3INO/c8-4-1-3(14-7(9,10)11)2-5(12)6(4)13/h1-2H,13H2 |
| InChI Key | DOYOILBYIVLGGL-UHFFFAOYSA-N |
| MDL Number | MFCD06657951 |
| Molecular Formula | C7H4BrF3INO |
| Molecular Weight | 381.9164 |
| SMILES | NC1=C(I)C=C(OC(F)(F)F)C=C1Br |
| Synonyms | 2-bromo-6-iodo-4-(trifluoromethoxy)aniline,
2-BROMO-6-IODO-4-TRIFLUOROMETHOXYANILINE,
845866-77-5,
AC1MC4BT,
SCHEMBL14676282,
CTK5I6322,
DTXSID50375593,
DOYOILBYIVLGGL-UHFFFAOYSA-N,
ZINC4244984,
AKOS025295802,
RT-018929,
ZINC04244984,
CID2761165,
|
| Complexity | 204 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 380.847g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 381.919g/mol |
| Monoisotopic Mass | 380.847g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number