| CAS Number | 106164-01-6 |
| Catalog Number | AG00HAS9(AGN-PC-0WR2XO) |
| Chemical Name | 4-(3-nitrophenoxy)benzamide |
| IUPAC Name | 4-(3-nitrophenoxy)benzamide |
| InChI | InChI=1S/C13H10N2O4/c14-13(16)9-4-6-11(7-5-9)19-12-3-1-2-10(8-12)15(17)18/h1-8H,(H2,14,16) |
| InChI Key | VLEXVLSYRLPZMN-UHFFFAOYSA-N |
| MDL Number | MFCD14583107 |
| Molecular Formula | C13H10N2O4 |
| Molecular Weight | 258.2295 |
| SMILES | NC(=O)C1=CC=C(OC2=CC=CC(=C2)[N+]([O-])=O)C=C1 |
| Synonyms | 4-(3-Nitrophenoxy)benzamide,
106164-01-6,
MFCD14583107,
AKOS027253438,
ZINC255190175,
AS-44994,
|
| Complexity | 334 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.233g/mol |
| Monoisotopic Mass | 258.064g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 98.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number