| CAS Number | 59772-47-3 |
| Catalog Number | AG00ELOX(AGN-PC-0NK06W) |
| Chemical Name | 3-Chloro-2-nitrobenzamide |
| IUPAC Name | 3-chloro-2-nitrobenzamide |
| InChI | InChI=1S/C7H5ClN2O3/c8-5-3-1-2-4(7(9)11)6(5)10(12)13/h1-3H,(H2,9,11) |
| InChI Key | MCRCSTFZVNYBHR-UHFFFAOYSA-N |
| MDL Number | MFCD11110986 |
| Molecular Formula | C7H5ClN2O3 |
| Molecular Weight | 200.5792 |
| SMILES | NC(=O)C1=C(C(Cl)=CC=C1)[N+]([O-])=O |
| Synonyms | 3-CHLORO-2-NITROBENZAMIDE,
59772-47-3,
2-Nitro-3-chlorobenzamide,
SCHEMBL1625522,
CTK5B0473,
DTXSID60507808,
MCRCSTFZVNYBHR-UHFFFAOYSA-N,
ZINC39271605,
AKOS017561613,
AJ-99554,
SC-45390,
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| Complexity | 228 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.999g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.578g/mol |
| Monoisotopic Mass | 199.999g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 88.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number