| CAS Number | 347907-99-7 |
| Catalog Number | AG019N08 |
| Chemical Name | 1-(2-Nitrophenyl)-3-(propan-2-yl)urea |
| IUPAC Name | 1-(2-nitrophenyl)-3-propan-2-ylurea |
| InChI | InChI=1S/C10H13N3O3/c1-7(2)11-10(14)12-8-5-3-4-6-9(8)13(15)16/h3-7H,1-2H3,(H2,11,12,14) |
| InChI Key | PLONQUZHJQIGCO-UHFFFAOYSA-N |
| MDL Number | MFCD03208832 |
| Molecular Formula | C10H13N3O3 |
| Molecular Weight | 223.2285 |
| SMILES | CC(NC(NC1=C([N+]([O-])=O)C=CC=C1)=O)C |
| Synonyms | 1-(2-nitrophenyl)-3-(propan-2-yl)urea,
N-isopropyl-N'-(2-nitrophenyl)urea,
347907-99-7,
Oprea1_110985,
AC1Q1Q82,
CTK6B0061,
ZINC24233082,
AKOS029869100,
MCULE-5391085271,
NE12422,
EN300-39070,
Z44580908,
|
| Complexity | 263 |
| 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 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number