| CAS Number | 198693-17-3 |
| Catalog Number | AG019W9D |
| Chemical Name | 3-Ethyl-1-(3-nitrophenyl)urea |
| IUPAC Name | 1-ethyl-3-(3-nitrophenyl)urea |
| InChI | InChI=1S/C9H11N3O3/c1-2-10-9(13)11-7-4-3-5-8(6-7)12(14)15/h3-6H,2H2,1H3,(H2,10,11,13) |
| InChI Key | MYBAPDHPDMSFRP-UHFFFAOYSA-N |
| MDL Number | MFCD00024340 |
| Molecular Formula | C9H11N3O3 |
| Molecular Weight | 209.2019 |
| SMILES | CCNC(NC1=CC([N+]([O-])=O)=CC=C1)=O |
| Synonyms | 3-ethyl-1-(3-nitrophenyl)urea,
198693-17-3,
1-ethyl-3-(3-nitrophenyl)urea,
AC1N7MJB,
AC1Q31D4,
CTK6F2083,
ZINC2164769,
AKOS001298475,
MCULE-7236158912,
NE19975,
EN300-51119,
Z44586851,
CID4329921,
|
| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.205g/mol |
| Monoisotopic Mass | 209.08g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 87A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number