| CAS Number | 845866-55-9 |
| Catalog Number | AG00G46B |
| Chemical Name | 3-(3,5-Bis(trifluoromethyl)benzyloxy)bromobenzene |
| IUPAC Name | 1-[(3-bromophenoxy)methyl]-3,5-bis(trifluoromethyl)benzene |
| InChI | InChI=1S/C15H9BrF6O/c16-12-2-1-3-13(7-12)23-8-9-4-10(14(17,18)19)6-11(5-9)15(20,21)22/h1-7H,8H2 |
| InChI Key | JNADRPIQYHKCTP-UHFFFAOYSA-N |
| MDL Number | MFCD06411662 |
| Molecular Formula | C15H9BrF6O |
| Molecular Weight | 399.1258 |
| SMILES | C1(C(F)(F)F)=CC(C(F)(F)F)=CC(COC2=CC(Br)=CC=C2)=C1 |
| Synonyms | 3-(3,5-Bis(trifluoromethyl)benzyloxy)bromobenzene,
3-(3,5-bis(trifluoromethyl)-benzyloxy)bromobenzene,
845866-55-9,
1-((3-bromophenoxy)methyl)-3,5-bis(trifluoromethyl)benzene,
1-[(3-bromophenoxy)methyl]-3,5-bis(trifluoromethyl)benzene,
AC1MBU9F,
CTK5I8571,
DTXSID20373506,
ZINC4240957,
AKOS025295801,
RT-019390,
ZINC04240957,
CID2756741,
|
| Complexity | 361 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 397.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 399.13g/mol |
| Monoisotopic Mass | 397.974g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number