| CAS Number | 127792-45-4 |
| Catalog Number | AG009D7B(AGN-PC-0WA5WW) |
| Chemical Name | Diclofenac Monobromo Sodium Salt Impurity |
| IUPAC Name | sodium;2-[2-(2-bromo-6-chloroanilino)phenyl]acetate |
| InChI | InChI=1S/C14H11BrClNO2.Na/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19;/h1-7,17H,8H2,(H,18,19);/q;+1/p-1 |
| InChI Key | CQEGIAAJWFDGJP-UHFFFAOYSA-M |
| MDL Number | MFCD03093754 |
| Molecular Formula | C14H10BrClNNaO2 |
| Molecular Weight | 362.5815 |
| SMILES | [Na+].[O-]C(=O)Cc1ccccc1Nc2c(Cl)cccc2Br |
| Synonyms | 127792-45-4,
Diclofenac Monobromo Sodium Salt Impurity,
CHEMBL308266,
Diclofenac Impurity D,
Sodium [2-(2-bromo-6-chloroanilino)phenyl]acetate,
DTXSID50635563,
BDBM50228759,
Diclofenac Impurity D (Sodium Salt),
FT-0666646,
J-005543,
sodium;2-[2-(2-bromo-6-chloroanilino)phenyl]acetate,
Sodium 2-[2-[(2-Bromo-6-chlorophenyl)amino]phenyl]acetate,
2-(2-Bromo-6-chlorophenylamino)benzeneacetic acid sodium salt,
2-[(2-Bromo-6-chlorophenyl)amino]phenylacetic Acid Sodium Salt,
2-(2-Bromo-6-chlorophenyl)amino)-phenylacetic acid sodium salt 95%,
2-[(2-Bromo-6-chlorophenyl)amino]benzeneacetic Acid Sodium Salt,
|
| Complexity | 322 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 360.948g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 362.583g/mol |
| Monoisotopic Mass | 360.948g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 52.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number