| CAS Number | 5204-46-6 |
| Catalog Number | AG00DBFR |
| Chemical Name | 4-Amino-2,6-dichlorobenzoic acid |
| IUPAC Name | 4-amino-2,6-dichlorobenzoic acid |
| InChI | InChI=1S/C7H5Cl2NO2/c8-4-1-3(10)2-5(9)6(4)7(11)12/h1-2H,10H2,(H,11,12) |
| InChI Key | IUMLFJXZSWXTEC-UHFFFAOYSA-N |
| MDL Number | MFCD09999716 |
| Molecular Formula | C7H5Cl2NO2 |
| Molecular Weight | 206.0261 |
| SMILES | O=C(O)C1=C(Cl)C=C(N)C=C1Cl |
| Synonyms | 4-AMINO-2,6-DICHLOROBENZOIC ACID,
5204-46-6,
SCHEMBL9769283,
ZINC88190256,
AKOS027316303,
ACM5204466,
FCH1397644,
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| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.97g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.022g/mol |
| Monoisotopic Mass | 204.97g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
Lot Number