| CAS Number | 23082-45-3 |
| Catalog Number | AG00BPNN(AGN-PC-0LOJ15) |
| Chemical Name | 3,5-Dichloro-2-nitrobenzoic acid |
| IUPAC Name | 3,5-dichloro-2-nitrobenzoic acid |
| InChI | InChI=1S/C7H3Cl2NO4/c8-3-1-4(7(11)12)6(10(13)14)5(9)2-3/h1-2H,(H,11,12) |
| InChI Key | LKMJMYZOEGSMDN-UHFFFAOYSA-N |
| MDL Number | MFCD01098205 |
| Molecular Formula | C7H3Cl2NO4 |
| Molecular Weight | 236.0090 |
| SMILES | O=C(O)C1=CC(Cl)=CC(Cl)=C1[N+]([O-])=O |
| Synonyms | 3,5-dichloro-2-nitrobenzoic acid,
23082-45-3,
LKMJMYZOEGSMDN-UHFFFAOYSA-N,
AC1NPVN3,
SCHEMBL1952775,
DTXSID30410219,
2-nitro-3,5-dichlorobenzoic acid,
ZINC5567098,
RW3800,
AKOS024353671,
Benzoic acid, 3,5-dichloro-2-nitro-,
MCULE-7632516222,
QC-3262,
ST50979865,
3,5-dichloro-2-nitro-benzoic Acid,
CID5210852,
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| 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
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Certificate of Analysis
Lot Number