| CAS Number | 926263-39-0 |
| Catalog Number | AG019MEI |
| Chemical Name | 4-Chloro-2-[(2-methyl-3-furoyl)amino]benzoic acid |
| IUPAC Name | 4-chloro-2-[(2-methylfuran-3-carbonyl)amino]benzoic acid |
| InChI | InChI=1S/C13H10ClNO4/c1-7-9(4-5-19-7)12(16)15-11-6-8(14)2-3-10(11)13(17)18/h2-6H,1H3,(H,15,16)(H,17,18) |
| InChI Key | KDNZOROMLOGVFT-UHFFFAOYSA-N |
| MDL Number | MFCD09044134 |
| Molecular Formula | C13H10ClNO4 |
| Molecular Weight | 279.6758 |
| SMILES | CC1=C(C(NC2=C(C(O)=O)C=CC(Cl)=C2)=O)C=CO1 |
| Synonyms | 4-chloro-2-(2-methylfuran-3-amido)benzoic acid,
926263-39-0,
4-chloro-2-[(2-methyl-3-furoyl)amino]benzoic acid,
AC1Q2ET4,
CTK6G8707,
ZINC20283053,
AKOS000128255,
MCULE-4882775320,
NE34566,
EN300-35921,
Z367451000,
|
| Complexity | 363 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 279.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 279.676g/mol |
| Monoisotopic Mass | 279.03g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 79.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number