| CAS Number | 1307424-31-2 |
| Catalog Number | AG01A0AX |
| Chemical Name | 3-[(methoxycarbonyl)amino]-5-(trifluoromethyl)benzoic acid |
| IUPAC Name | 3-(methoxycarbonylamino)-5-(trifluoromethyl)benzoic acid |
| InChI | InChI=1S/C10H8F3NO4/c1-18-9(17)14-7-3-5(8(15)16)2-6(4-7)10(11,12)13/h2-4H,1H3,(H,14,17)(H,15,16) |
| InChI Key | VCHYKBNSTLVIER-UHFFFAOYSA-N |
| MDL Number | MFCD13293231 |
| Molecular Formula | C10H8F3NO4 |
| Molecular Weight | 263.1700 |
| SMILES | COC(NC1=CC(C(F)(F)F)=CC(C(O)=O)=C1)=O |
| Synonyms | 3-[(methoxycarbonyl)amino]-5-(trifluoromethyl)benzoic acid,
1307424-31-2,
ZINC40764734,
AKOS010484922,
MCULE-8814808970,
NE26990,
Z1428135684,
|
| Complexity | 332 |
| 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 | 3 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number