| CAS Number | 199585-00-7 |
| Catalog Number | AG01AAAO |
| Chemical Name | 1-(4-fluorophenyl)-3-(3-hydroxyphenyl)urea |
| IUPAC Name | 1-(4-fluorophenyl)-3-(3-hydroxyphenyl)urea |
| InChI | InChI=1S/C13H11FN2O2/c14-9-4-6-10(7-5-9)15-13(18)16-11-2-1-3-12(17)8-11/h1-8,17H,(H2,15,16,18) |
| InChI Key | BASVXNNPMBRKEP-UHFFFAOYSA-N |
| MDL Number | MFCD00091689 |
| Molecular Formula | C13H11FN2O2 |
| Molecular Weight | 246.2370 |
| NSC Number | 213844 |
| SMILES | OC1=CC(NC(NC2=CC=C(F)C=C2)=O)=CC=C1 |
| Synonyms | 1-(4-fluorophenyl)-3-(3-hydroxyphenyl)urea,
199585-00-7,
NSC213844,
AC1Q78LV,
AC1L7H28,
ZINC399805,
AC1Q7917,
AKOS008961270,
MCULE-6235740696,
NE45097,
NSC-213844,
EN300-67656,
Z55290386,
CID310363,
|
| Complexity | 280 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.241g/mol |
| Monoisotopic Mass | 246.08g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 61.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number