| CAS Number | 1092461-35-2 |
| Catalog Number | AG009LTS(AGN-PC-0WAJXI) |
| Chemical Name | 2-(3-Bromo-5-(trifluoromethoxy)phenyl)acetic acid |
| IUPAC Name | 2-[3-bromo-5-(trifluoromethoxy)phenyl]acetic acid |
| InChI | InChI=1S/C9H6BrF3O3/c10-6-1-5(3-8(14)15)2-7(4-6)16-9(11,12)13/h1-2,4H,3H2,(H,14,15) |
| InChI Key | PEBPBUMXKAQCGP-UHFFFAOYSA-N |
| MDL Number | MFCD11519378 |
| Molecular Formula | C9H6BrF3O3 |
| Molecular Weight | 299.0413 |
| SMILES | O=C(O)CC1=CC(OC(F)(F)F)=CC(Br)=C1 |
| Synonyms | 1092461-35-2,
3-BROMO-5-(TRIFLUOROMETHOXY)PHENYLACETIC ACID,
2-(3-Bromo-5-(trifluoromethoxy)phenyl)acetic acid,
MFCD11519378,
CTK7J2220,
ZINC71867326,
AKOS015956911,
AS-46439,
PC302520,
AJ-118971,
3-Bromo-5-(trifluoromethoxy)phenylacetic acid, JRD,
|
| Complexity | 257 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 297.945g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 299.043g/mol |
| Monoisotopic Mass | 297.945g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
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Certificate of Analysis
Lot Number