| CAS Number | 1293197-77-9 |
| Catalog Number | AG01BFH8 |
| Chemical Name | 2-[(4-bromo-2-nitrophenyl)amino]-2-methylpropanoic acid |
| IUPAC Name | 2-(4-bromo-2-nitroanilino)-2-methylpropanoic acid |
| InChI | InChI=1S/C10H11BrN2O4/c1-10(2,9(14)15)12-7-4-3-6(11)5-8(7)13(16)17/h3-5,12H,1-2H3,(H,14,15) |
| InChI Key | ORHKPTVTFPKWSQ-UHFFFAOYSA-N |
| MDL Number | MFCD13326069 |
| Molecular Formula | C10H11BrN2O4 |
| Molecular Weight | 303.1093 |
| SMILES | CC(C(O)=O)(NC1=C([N+]([O-])=O)C=C(Br)C=C1)C |
| Synonyms | 2-[(4-bromo-2-nitrophenyl)amino]-2-methylpropanoic acid,
1293197-77-9,
ZINC40911198,
AKOS010515558,
NE49719,
|
| Complexity | 316 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 301.99g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 303.112g/mol |
| Monoisotopic Mass | 301.99g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 95.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
Lot Number