| CAS Number | 913297-15-1 |
| Catalog Number | AG01C1KB |
| Chemical Name | methyl 2-(methylamino)-3-nitrobenzoate |
| IUPAC Name | methyl 2-(methylamino)-3-nitrobenzoate |
| InChI | InChI=1S/C9H10N2O4/c1-10-8-6(9(12)15-2)4-3-5-7(8)11(13)14/h3-5,10H,1-2H3 |
| InChI Key | PUJFWFKWWCVKMO-UHFFFAOYSA-N |
| MDL Number | MFCD27932418 |
| Molecular Formula | C9H10N2O4 |
| Molecular Weight | 210.1867 |
| SMILES | CNC1=C([N+]([O-])=O)C=CC=C1C(OC)=O |
| Synonyms | methyl 2-(methylamino)-3-nitrobenzoate,
913297-15-1,
Benzoic acid, 2-(methylamino)-3-nitro-, methyl ester,
SCHEMBL2085072,
PUJFWFKWWCVKMO-UHFFFAOYSA-N,
Methyl 2-Methylamino-3-nitrobenzoate,
AKOS033548137,
ZINC117987574,
methylamino-3-nitro-benzoic acid-methyl ester,
Z1693980924,
|
| 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 | 84.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number