| CAS Number | 1546093-06-4 |
| Catalog Number | AG01BABS |
| Chemical Name | 1-(5-amino-2-fluorophenyl)-3-methylurea |
| IUPAC Name | 1-(5-amino-2-fluorophenyl)-3-methylurea |
| InChI | InChI=1S/C8H10FN3O/c1-11-8(13)12-7-4-5(10)2-3-6(7)9/h2-4H,10H2,1H3,(H2,11,12,13) |
| InChI Key | OTAJRESAGDFPLW-UHFFFAOYSA-N |
| MDL Number | MFCD24262148 |
| Molecular Formula | C8H10FN3O |
| Molecular Weight | 183.1829 |
| SMILES | CNC(NC1=C(F)C=CC(N)=C1)=O |
| Synonyms | 1-(5-amino-2-fluorophenyl)-3-methylurea,
1546093-06-4,
AKOS020888489,
ZINC125102493,
Z2044769066,
|
| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.081g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.186g/mol |
| Monoisotopic Mass | 183.081g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 67.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number