| CAS Number | 96189-12-7 |
| Catalog Number | AG006SEZ(AGN-PC-0W5T6O) |
| Chemical Name | Naphthol as-mx phosphate disodium salt |
| IUPAC Name | disodium;[3-[(2,4-dimethylphenyl)carbamoyl]naphthalen-2-yl] phosphate |
| InChI | InChI=1S/C19H18NO5P.2Na/c1-12-7-8-17(13(2)9-12)20-19(21)16-10-14-5-3-4-6-15(14)11-18(16)25-26(22,23)24;;/h3-11H,1-2H3,(H,20,21)(H2,22,23,24);;/q;2*+1/p-2 |
| InChI Key | IHRJBGLDOBEMPR-UHFFFAOYSA-L |
| MDL Number | MFCD00069549 |
| Molecular Formula | C19H16NNa2O5P |
| Molecular Weight | 415.2873 |
| SMILES | [Na+].[Na+].Cc1ccc(NC(=O)c2cc3ccccc3cc2OP(=O)([O-])[O-])c(C)c1 |
| Synonyms | Naphthol AS-MX phosphate disodium salt,
96189-12-7,
MFCD00069549,
AKOS024374973,
ST51015078,
C-53021,
Naphthol AS-MX phosphate disodium salt, phosphatase substrate,
sodium 3-(2,4-dimethylphenylcarbamoyl)naphthalen-2-yl phosphate,
3-[N-(2,4-dimethylphenyl)carbamoyl](2-naphthyl) dihydrogen phosphate, sodium s alt, sodium salt,
NAPHTHOLAS-MXPHOSPHATEDISODIUMSALT,
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| Complexity | 539 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 415.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 415.292g/mol |
| Monoisotopic Mass | 415.056g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 102A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number