| CAS Number | 1572936-83-4 |
| Catalog Number | AG001PCN |
| Chemical Name | 2-[(4-Methoxy-2-naphthalenyl)amino]-5-nitrobenzoic acid |
| IUPAC Name | 2-[(4-methoxynaphthalen-2-yl)amino]-5-nitrobenzoic acid |
| InChI | InChI=1S/C18H14N2O5/c1-25-17-9-12(8-11-4-2-3-5-14(11)17)19-16-7-6-13(20(23)24)10-15(16)18(21)22/h2-10,19H,1H3,(H,21,22) |
| InChI Key | JIVRLHBAUUZTNC-UHFFFAOYSA-N |
| MDL Number | MFCD28100806 |
| Molecular Formula | C18H14N2O5 |
| Molecular Weight | 338.3142 |
| SMILES | COC1=CC(NC2=C(C(O)=O)C=C([N+]([O-])=O)C=C2)=CC3=CC=CC=C31 |
| Synonyms | MONNA compound,
N-((4-methoxy)-2-naphthyl)-5-nitroanthranilic acid,
MONNA,
1572936-83-4,
C18H14N2O5,
CHEMBL4086165,
SCHEMBL16737209,
AOB4897,
SYN5036,
AKOS030210953,
ZINC205441365,
NCGC00402240-03,
AS-16402,
SC-87878,
2-((4-methoxynaphthalen-2-yl)amino)-5-nitrobenzoic,
N-((4-methoxy)-2-naphthyl)-5-nitroanthranilic acid,
2-[(4-Methoxy-2-naphthalenyl)amino]-5-nitro-benzoic acid,
Benzoic acid, 2-[(4-methoxy-2-naphthalenyl)amino]-5-nitro-,
2-((4-methoxynaphthalen-2-yl)amino)-5-nitrobenzoic acid,
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| Complexity | 494 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 338.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 338.319g/mol |
| Monoisotopic Mass | 338.09g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 104A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number