| CAS Number | 1171690-78-0 |
| Catalog Number | AG000DTW(AGN-PC-0713GP) |
| Chemical Name | 4-Bromo-5-methylisatinic acid sodium salt |
| IUPAC Name | sodium;2-(2-amino-4-bromo-5-methylphenyl)-2-oxoacetate |
| InChI | InChI=1S/C9H8BrNO3.Na/c1-4-2-5(8(12)9(13)14)7(11)3-6(4)10;/h2-3H,11H2,1H3,(H,13,14);/q;+1/p-1 |
| InChI Key | AJWBNZZKMPKMFF-UHFFFAOYSA-M |
| MDL Number | MFCD03093056 |
| Molecular Formula | C9H7BrNNaO3 |
| Molecular Weight | 280.0505 |
| SMILES | [Na+].CC1=CC(C(=O)C([O-])=O)=C(N)C=C1Br |
| Synonyms | 1171690-78-0,
sodium 2-(2-amino-4-bromo-5-methylphenyl)-2-oxoacetate,
Sodium (2-amino-4-bromo-5-methylphenyl)(oxo)acetate,
ZX-AT003406,
MFCD03093056,
OR7043,
FCH1601409,
PS-11311,
K-1176,
Benzeneacetic acid, 2-amino-4-bromo-5-methyl-alpha-oxo-, sodium salt (1:1),
4-Bromo-5-methylisatinic acid sodium salt,
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| Complexity | 262 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 278.951g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 280.053g/mol |
| Monoisotopic Mass | 278.951g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 83.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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