| CAS Number | 41994-91-6 |
| Catalog Number | AG00I85Y(AGN-PC-0WOIDA) |
| Chemical Name | 4-Chloro-2-nitrobenzamide |
| IUPAC Name | 4-chloro-2-nitrobenzamide |
| InChI | InChI=1S/C7H5ClN2O3/c8-4-1-2-5(7(9)11)6(3-4)10(12)13/h1-3H,(H2,9,11) |
| InChI Key | DPCCEABSUFIEKX-UHFFFAOYSA-N |
| MDL Number | MFCD01215396 |
| Molecular Formula | C7H5ClN2O3 |
| Molecular Weight | 200.5792 |
| SMILES | Clc1ccc(c(c1)[N+](=O)[O-])C(=O)N |
| Synonyms | 4-chloro-2-nitrobenzamide,
41994-91-6,
4-chloro-2-nitrobenzoic amide,
2-Nitro-4-chlorobenzamide,
AC1MO215,
SCHEMBL6896167,
ZINC5568040,
AKOS002954070,
MCULE-8177942864,
4-chloro-2-nitro-benzamide,
CID3336981,
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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 | 1.4 |
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Certificate of Analysis
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