| CAS Number | 1039827-16-1 |
| Catalog Number | AG01ABDC |
| Chemical Name | 1-(5-Bromo-2-fluorophenyl)-2,2,2-trifluoroethan-1-ol |
| IUPAC Name | 1-(5-bromo-2-fluorophenyl)-2,2,2-trifluoroethanol |
| InChI | InChI=1S/C8H5BrF4O/c9-4-1-2-6(10)5(3-4)7(14)8(11,12)13/h1-3,7,14H |
| InChI Key | FRYOXCMTJUDLMZ-UHFFFAOYSA-N |
| MDL Number | MFCD16067891 |
| Molecular Formula | C8H5BrF4O |
| Molecular Weight | 273.0223 |
| SMILES | C1=CC(=C(C=C1Br)C(C(F)(F)F)O)F |
| Synonyms | 1-(5-bromo-2-fluorophenyl)-2,2,2-trifluoroethan-1-ol,
1039827-16-1,
1-(5-bromo-2-fluorophenyl)-2,2,2-trifluoroethanol,
AC1Q76Q1,
SCHEMBL2961939,
FRYOXCMTJUDLMZ-UHFFFAOYSA-N,
AKOS010909782,
NE18585,
EN300-71299,
Z1245735253,
|
| Complexity | 196 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.946g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 273.025g/mol |
| Monoisotopic Mass | 271.946g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number