| CAS Number | 296277-71-9 |
| Catalog Number | AG01B4X6 |
| Chemical Name | [(2,4-Difluorophenyl)methyl]urea |
| IUPAC Name | (2,4-difluorophenyl)methylurea |
| InChI | InChI=1S/C8H8F2N2O/c9-6-2-1-5(7(10)3-6)4-12-8(11)13/h1-3H,4H2,(H3,11,12,13) |
| InChI Key | UCWDZVXJSJPZKX-UHFFFAOYSA-N |
| MDL Number | MFCD16681157 |
| Molecular Formula | C8H8F2N2O |
| Molecular Weight | 186.1587 |
| SMILES | NC(NCC1=C(F)C=C(F)C=C1)=O |
| Synonyms | [(2,4-difluorophenyl)methyl]urea,
296277-71-9,
SCHEMBL626266,
ZINC50227597,
AKOS011346070,
Z933841108,
|
| Complexity | 189 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.06g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.162g/mol |
| Monoisotopic Mass | 186.06g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number