| CAS Number | 15789-00-1 |
| Catalog Number | AG00HYGP |
| Chemical Name | N-butyl-3-hydroxybenzamide |
| IUPAC Name | N-butyl-3-hydroxybenzamide |
| InChI | InChI=1S/C11H15NO2/c1-2-3-7-12-11(14)9-5-4-6-10(13)8-9/h4-6,8,13H,2-3,7H2,1H3,(H,12,14) |
| InChI Key | PAFCEBQVQWMWDU-UHFFFAOYSA-N |
| MDL Number | MFCD11130930 |
| Molecular Formula | C18H13Cl2N3O2 |
| Molecular Weight | 374.2207 |
| SMILES | O=C(NCC1=CC=CC=C1)C2=CC=C(N3C(C(Cl)=C(Cl)C=N3)=O)C=C2 |
| Synonyms | N-butyl-3-hydroxybenzamide,
15789-00-1,
SCHEMBL161905,
ZINC19838372,
AKOS000212976,
J3.537.005F,
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| Complexity | 182 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.246g/mol |
| Monoisotopic Mass | 193.11g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number