| CAS Number | 1600601-53-3 |
| Catalog Number | AG01BFAQ |
| Chemical Name | 3-ethyl-1-(4-methyl-3-nitrophenyl)urea |
| IUPAC Name | 1-ethyl-3-(4-methyl-3-nitrophenyl)urea |
| InChI | InChI=1S/C10H13N3O3/c1-3-11-10(14)12-8-5-4-7(2)9(6-8)13(15)16/h4-6H,3H2,1-2H3,(H2,11,12,14) |
| InChI Key | BEYPZVPLAOCLPH-UHFFFAOYSA-N |
| MDL Number | MFCD18416840 |
| Molecular Formula | C10H13N3O3 |
| Molecular Weight | 223.2285 |
| SMILES | CCNC(NC1=CC([N+]([O-])=O)=C(C)C=C1)=O |
| Synonyms | 3-ethyl-1-(4-methyl-3-nitrophenyl)urea,
1600601-53-3,
ZINC43466824,
AKOS034355461,
Z44589767,
|
| Complexity | 265 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.096g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.232g/mol |
| Monoisotopic Mass | 223.096g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 87A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number