| CAS Number | 553611-03-3 |
| Catalog Number | AG01BENK(AGN-PC-084SK5) |
| Chemical Name | 3-[(3-hydroxyphenyl)methyl]-1-phenylurea |
| IUPAC Name | 1-[(3-hydroxyphenyl)methyl]-3-phenylurea |
| InChI | InChI=1S/C14H14N2O2/c17-13-8-4-5-11(9-13)10-15-14(18)16-12-6-2-1-3-7-12/h1-9,17H,10H2,(H2,15,16,18) |
| InChI Key | ZFOAFLVTFFNZKZ-UHFFFAOYSA-N |
| MDL Number | MFCD12853755 |
| Molecular Formula | C14H14N2O2 |
| Molecular Weight | 242.2732 |
| SMILES | OC1=CC(CNC(NC2=CC=CC=C2)=O)=CC=C1 |
| Synonyms | 3-[(3-hydroxyphenyl)methyl]-1-phenylurea,
553611-03-3,
ZINC38032331,
AKOS005811481,
NE43325,
|
| Complexity | 265 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.278g/mol |
| Monoisotopic Mass | 242.106g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 61.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number