| CAS Number | 50917-27-6 |
| Catalog Number | AG00I94M(AGN-PC-0WRA38) |
| Chemical Name | 2,4-Dichloro-3-acetamidobenzoic acid |
| IUPAC Name | 3-acetamido-2,4-dichlorobenzoic acid |
| InChI | InChI=1S/C9H7Cl2NO3/c1-4(13)12-8-6(10)3-2-5(7(8)11)9(14)15/h2-3H,1H3,(H,12,13)(H,14,15) |
| InChI Key | JTNUYPZFVNHVGY-UHFFFAOYSA-N |
| MDL Number | MFCD27924632 |
| Molecular Formula | C9H7Cl2NO3 |
| Molecular Weight | 248.0628 |
| SMILES | CC(NC1=C(Cl)C(C(O)=O)=CC=C1Cl)=O |
| Synonyms | 50917-27-6,
3-acetamido-2,4-dichlorobenzoic acid,
Benzoic acid, 3-(acetylamino)-2,4-dichloro-,
SCHEMBL670482,
JTNUYPZFVNHVGY-UHFFFAOYSA-N,
2,4-Dichloro-3-acetamidobenzoic acid,
3-Acetylamino-2,4-dichloro-benzoic acid,
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| Complexity | 272 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.98g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.059g/mol |
| Monoisotopic Mass | 246.98g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number