| CAS Number | 13142-80-8 |
| Catalog Number | AG01BEMA |
| Chemical Name | 3-(3-Hydroxyphenyl)-1-phenylurea |
| IUPAC Name | 1-(3-hydroxyphenyl)-3-phenylurea |
| InChI | InChI=1S/C13H12N2O2/c16-12-8-4-7-11(9-12)15-13(17)14-10-5-2-1-3-6-10/h1-9,16H,(H2,14,15,17) |
| InChI Key | YYUJEEGDLCZLSE-UHFFFAOYSA-N |
| MDL Number | MFCD00446264 |
| Molecular Formula | C13H12N2O2 |
| Molecular Weight | 228.2466 |
| SMILES | OC1=CC(NC(NC2=CC=CC=C2)=O)=CC=C1 |
| Synonyms | 3-(3-hydroxyphenyl)-1-phenylurea,
13142-80-8,
AC1MU8W0,
CHEMBL268253,
SCHEMBL7098404,
ZINC408640,
1-(3-hydroxyphenyl)-3-phenylurea,
AC1Q7918,
AKOS008961269,
MCULE-5530131189,
NE55267,
N-(3-HYDROXYPHENYL)-N'-PHENYLUREA,
N-(3-hydroxyphenyl)(phenylamino)carboxamide,
ST50563579,
1-(3-hydroxyphenyl)-3-phenyl-urea,
CID3614600,
|
| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.251g/mol |
| Monoisotopic Mass | 228.09g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 61.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number