| CAS Number | 1152599-77-3 |
| Catalog Number | AG019W75 |
| Chemical Name | 2-butanamido-3,5-dichlorobenzoic acid |
| IUPAC Name | 2-(butanoylamino)-3,5-dichlorobenzoic acid |
| InChI | InChI=1S/C11H11Cl2NO3/c1-2-3-9(15)14-10-7(11(16)17)4-6(12)5-8(10)13/h4-5H,2-3H2,1H3,(H,14,15)(H,16,17) |
| InChI Key | NAELTMHMRVREIG-UHFFFAOYSA-N |
| MDL Number | MFCD11104586 |
| Molecular Formula | C11H11Cl2NO3 |
| Molecular Weight | 276.1159 |
| SMILES | CCCC(NC1=C(C(O)=O)C=C(Cl)C=C1Cl)=O |
| Synonyms | 2-butanamido-3,5-dichlorobenzoic acid,
1152599-77-3,
AC1Q2UGK,
CTK6D3252,
ZINC34974575,
AKOS008125825,
MCULE-3540764785,
NE35652,
EN300-50910,
|
| Complexity | 298 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 275.012g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 276.113g/mol |
| Monoisotopic Mass | 275.012g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number