| CAS Number | 2011-09-8 |
| Catalog Number | AG00BPL5(AGN-PC-0JTAF2) |
| Chemical Name | 4,5-Dichloro-2-nitrobenzoic acid |
| IUPAC Name | 4,5-dichloro-2-nitrobenzoic acid |
| InChI | InChI=1S/C7H3Cl2NO4/c8-4-1-3(7(11)12)6(10(13)14)2-5(4)9/h1-2H,(H,11,12) |
| InChI Key | SUHYJVCHLDIPIY-UHFFFAOYSA-N |
| MDL Number | MFCD17015364 |
| Molecular Formula | C7H3Cl2NO4 |
| Molecular Weight | 236.0090 |
| SMILES | OC(C1=C([N+]([O-])=O)C=C(Cl)C(Cl)=C1)=O |
| Synonyms | 4,5-Dichloro-2-nitrobenzoic acid,
2011-09-8,
SUHYJVCHLDIPIY-UHFFFAOYSA-N,
AC1LBJ6L,
SCHEMBL3902768,
CTK7I6909,
DTXSID80342657,
MFCD17015364,
ZINC32169655,
4,5-Dichloro-2-nitrobenzoicacid,
CID583642,
|
| 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 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number