| CAS Number | 1250603-22-5 |
| Catalog Number | AG019SXP(AGN-PC-0WO5DE) |
| Chemical Name | 2-(4-Bromothiophen-2-yl)-2-[(2,2,2-trifluoroethyl)amino]acetic acid |
| IUPAC Name | 2-(4-bromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetic acid |
| InChI | InChI=1S/C8H7BrF3NO2S/c9-4-1-5(16-2-4)6(7(14)15)13-3-8(10,11)12/h1-2,6,13H,3H2,(H,14,15) |
| InChI Key | SELWXVQTLWAOJS-UHFFFAOYSA-N |
| MDL Number | MFCD14632452 |
| Molecular Formula | C8H7BrF3NO2S |
| Molecular Weight | 318.1109 |
| SMILES | OC(C(C1SC=C(Br)C=1)NCC(F)(F)F)=O |
| Synonyms | 2-(4-bromothiophen-2-yl)-2-[(2,2,2-trifluoroethyl)amino]acetic acid,
1250603-22-5,
(4-bromo-2-thienyl)[(2,2,2-trifluoroethyl)amino]acetic acid,
MFCD14632452,
AKOS010601966,
MCULE-9928306943,
NE23092,
BS-12313,
Z1270446300,
|
| Complexity | 264 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 316.933g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 318.108g/mol |
| Monoisotopic Mass | 316.933g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 77.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number