| CAS Number | 1049731-04-5 |
| Catalog Number | AG0095X1(AGN-PC-0WANLO) |
| Chemical Name | 2-Bromo-4-iodophenyl trifluoromethyl ether, 2-Bromo-4-iodo-alpha,alpha,alpha-trifluoroanisole |
| IUPAC Name | 2-bromo-4-iodo-1-(trifluoromethoxy)benzene |
| InChI | InChI=1S/C7H3BrF3IO/c8-5-3-4(12)1-2-6(5)13-7(9,10)11/h1-3H |
| InChI Key | OILSLJDTYNLSKZ-UHFFFAOYSA-N |
| MDL Number | MFCD18398077 |
| Molecular Formula | C7H3BrF3IO |
| Molecular Weight | 366.9018 |
| SMILES | c1cc(c(cc1I)Br)OC(F)(F)F |
| Synonyms | 2-Bromo-4-iodo-1-(trifluoromethoxy)benzene,
1049731-04-5,
2-Bromo-4-iodo(trifluoromethoxy)benzene,
MFCD18398077,
DTXSID30717831,
ZINC71792144,
AKOS025402819,
AS05657,
CM12106,
PS-11510,
CS-0038920,
5-IODO-2-(TRIFLUOROMETHOXY)BROMOBENZENE,
2-BROMO-4-IODOPHENYL TRIFLUOROMETHYL ETHER,
2-BROMO-4-IODO-ALPHA,ALPHA,ALPHA-TRIFLUOROANISOLE,
2-Bromo-4-iodophenyl trifluoromethyl ether, 2-Bromo-4-iodo-alpha,alpha,alpha-trifluoroanisole,
|
| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 365.836g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 366.904g/mol |
| Monoisotopic Mass | 365.836g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number