| CAS Number | 1307286-32-3 |
| Catalog Number | AG019SHO |
| Chemical Name | 4-{[(2,2,2-trifluoroethoxy)carbonyl]amino}benzoic acid |
| IUPAC Name | 4-(2,2,2-trifluoroethoxycarbonylamino)benzoic acid |
| InChI | InChI=1S/C10H8F3NO4/c11-10(12,13)5-18-9(17)14-7-3-1-6(2-4-7)8(15)16/h1-4H,5H2,(H,14,17)(H,15,16) |
| InChI Key | HDORBKGPEBLZMQ-UHFFFAOYSA-N |
| MDL Number | MFCD13217752 |
| Molecular Formula | C10H8F3NO4 |
| Molecular Weight | 263.1700 |
| SMILES | OC(C1=CC=C(NC(OCC(F)(F)F)=O)C=C1)=O |
| Synonyms | 4-{[(2,2,2-trifluoroethoxy)carbonyl]amino}benzoic acid,
1307286-32-3,
ZINC40503357,
AKOS010415774,
MCULE-9309511620,
NE25322,
EN300-93684,
Z1269638500,
|
| Complexity | 311 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.172g/mol |
| Monoisotopic Mass | 263.041g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number