| CAS Number | 1305792-06-6 |
| Catalog Number | AG01AJ8C |
| Chemical Name | 3-[(6-methylpyridazin-3-yl)amino]benzoic acid |
| IUPAC Name | 3-[(6-methylpyridazin-3-yl)amino]benzoic acid |
| InChI | InChI=1S/C12H11N3O2/c1-8-5-6-11(15-14-8)13-10-4-2-3-9(7-10)12(16)17/h2-7H,1H3,(H,13,15)(H,16,17) |
| InChI Key | JBVMDCVLYMARJB-UHFFFAOYSA-N |
| MDL Number | MFCD13342559 |
| Molecular Formula | C12H11N3O2 |
| Molecular Weight | 229.2346 |
| SMILES | CC1=NN=C(NC2=CC(C(O)=O)=CC=C2)C=C1 |
| Synonyms | 3-[(6-methylpyridazin-3-yl)amino]benzoic acid,
1305792-06-6,
ZINC41074681,
AKOS033222410,
MCULE-8113532594,
NE39585,
EN300-80018,
Z1270392235,
|
| Complexity | 273 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.239g/mol |
| Monoisotopic Mass | 229.085g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 75.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number