| CAS Number | 13300-61-3 |
| Catalog Number | AG019TEX(AGN-PC-03L440) |
| Chemical Name | 2,3-Dichloro-5-nitrobenzoic acid |
| IUPAC Name | 2,3-dichloro-5-nitrobenzoic acid |
| InChI | InChI=1S/C7H3Cl2NO4/c8-5-2-3(10(13)14)1-4(6(5)9)7(11)12/h1-2H,(H,11,12) |
| InChI Key | ZHQQQRTYWQXNSU-UHFFFAOYSA-N |
| MDL Number | MFCD12173031 |
| Molecular Formula | C7H3Cl2NO4 |
| Molecular Weight | 236.0090 |
| SMILES | O=C(O)C1=CC([N+]([O-])=O)=CC(Cl)=C1Cl |
| Synonyms | 2,3-dichloro-5-nitrobenzoic acid,
13300-61-3,
SCHEMBL2034609,
ZHQQQRTYWQXNSU-UHFFFAOYSA-N,
ZINC35333695,
AKOS009486807,
Benzoic acid, 2,3-dichloro-5-nitro-,
MCULE-8570470976,
NE44248,
Z1816233695,
|
| Complexity | 255 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.944g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.004g/mol |
| Monoisotopic Mass | 234.944g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 83.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number