| CAS Number | 31918-24-8 |
| Catalog Number | AG019SRK(AGN-PC-02M8I4) |
| Chemical Name | 2-[methyl(2-nitrophenyl)amino]acetic acid |
| IUPAC Name | 2-(N-methyl-2-nitroanilino)acetic acid |
| InChI | InChI=1S/C9H10N2O4/c1-10(6-9(12)13)7-4-2-3-5-8(7)11(14)15/h2-5H,6H2,1H3,(H,12,13) |
| InChI Key | YGAUDDLPJMAILT-UHFFFAOYSA-N |
| MDL Number | MFCD09810131 |
| Molecular Formula | C9H10N2O4 |
| Molecular Weight | 210.1867 |
| SMILES | CN(C1=C([N+]([O-])=O)C=CC=C1)CC(O)=O |
| Synonyms | 2-[methyl(2-nitrophenyl)amino]acetic acid,
31918-24-8,
2-(Methyl(2-nitrophenyl)amino)acetic acid,
SCHEMBL3054248,
CTK1B2596,
DTXSID40602269,
N-Methyl-N-(2-nitrophenyl)glycine,
ZINC19280105,
AKOS000156451,
MCULE-2242946858,
NE37084,
Glycine, N-methyl-N-(2-nitrophenyl)-,
EN300-94660,
F1911-3588,
Z1270559102,
2-(N-methyl-2-nitroanilino)acetic acid,
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| Complexity | 251 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.189g/mol |
| Monoisotopic Mass | 210.064g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 86.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number