| CAS Number | 1019114-54-5 |
| Catalog Number | AG019WNO |
| Chemical Name | 4-(3,5-difluorobenzamido)-2-hydroxybenzoic acid |
| IUPAC Name | 4-[(3,5-difluorobenzoyl)amino]-2-hydroxybenzoic acid |
| InChI | InChI=1S/C14H9F2NO4/c15-8-3-7(4-9(16)5-8)13(19)17-10-1-2-11(14(20)21)12(18)6-10/h1-6,18H,(H,17,19)(H,20,21) |
| InChI Key | YPFBZVNLAOGNJI-UHFFFAOYSA-N |
| MDL Number | MFCD11978177 |
| Molecular Formula | C14H9F2NO4 |
| Molecular Weight | 293.2224 |
| SMILES | OC(C1=C(O)C=C(NC(C2=CC(F)=CC(F)=C2)=O)C=C1)=O |
| Synonyms | 4-(3,5-difluorobenzamido)-2-hydroxybenzoic acid,
1019114-54-5,
4-[(3,5-difluorobenzene)amido]-2-hydroxybenzoic acid,
AC1Q72HG,
CTK8F5537,
ZINC19386487,
AKOS000159901,
MCULE-1697597443,
NE31362,
EN300-52540,
|
| Complexity | 396 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 293.05g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 293.226g/mol |
| Monoisotopic Mass | 293.05g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 86.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number