| CAS Number | 854357-45-2 |
| Catalog Number | AG00IDO0 |
| Chemical Name | 2-((2-Methoxyethyl)amino)-5-nitrobenzoic acid |
| IUPAC Name | 2-(2-methoxyethylamino)-5-nitrobenzoic acid |
| InChI | InChI=1S/C10H12N2O5/c1-17-5-4-11-9-3-2-7(12(15)16)6-8(9)10(13)14/h2-3,6,11H,4-5H2,1H3,(H,13,14) |
| InChI Key | DNPQOPWOYVMQNL-UHFFFAOYSA-N |
| MDL Number | MFCD06655920 |
| Molecular Formula | C10H12N2O5 |
| Molecular Weight | 240.2127 |
| SMILES | COCCNC1=C(C(O)=O)C=C([N+]([O-])=O)C=C1 |
| Synonyms | 2-[(2-methoxyethyl)amino]-5-nitrobenzoic acid,
854357-45-2,
2-((2-Methoxyethyl)amino)-5-nitrobenzoic acid,
AC1NLQQE,
AC1Q4G54,
CTK7B3525,
ZINC3888808,
MFCD06655920,
STL553872,
AKOS000214259,
MCULE-8636870224,
NE51891,
2-(2-methoxyethylamino)-5-nitrobenzoic acid,
EN300-13549,
Z55982417,
CID4962502,
2-(2-methoxyethylamino)-5-nitro-benzoic Acid,
|
| Complexity | 278 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.215g/mol |
| Monoisotopic Mass | 240.075g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 104A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number