| CAS Number | 1820639-05-1 |
| Catalog Number | AG00I0LM |
| Chemical Name | 1-Benzoyl-3-(2-hydroxy-5-nitrophenyl)urea |
| IUPAC Name | N-[(2-hydroxy-5-nitrophenyl)carbamoyl]benzamide |
| InChI | InChI=1S/C14H11N3O5/c18-12-7-6-10(17(21)22)8-11(12)15-14(20)16-13(19)9-4-2-1-3-5-9/h1-8,18H,(H2,15,16,19,20) |
| InChI Key | VKHWJCSMOPGTDP-UHFFFAOYSA-N |
| MDL Number | MFCD27981309 |
| Molecular Formula | C14H11N3O5 |
| Molecular Weight | 301.2542 |
| SMILES | O=C(Nc1cc(ccc1O)[N+](=O)[O-])NC(=O)c1ccccc1 |
| Synonyms | 1820639-05-1,
1-Benzoyl-3-(2-hydroxy-5-nitrophenyl)urea,
N-((2-Hydroxy-5-nitrophenyl)carbamoyl)benzamide,
ZINC97756636,
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| Complexity | 431 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 301.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 301.258g/mol |
| Monoisotopic Mass | 301.07g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 124A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
Lot Number