| CAS Number | 50906-33-7 |
| Catalog Number | AG019XIV(AGN-PC-0JV6AI) |
| Chemical Name | 3-(4-Aminophenyl)-1-(4-chlorophenyl)urea |
| IUPAC Name | 1-(4-aminophenyl)-3-(4-chlorophenyl)urea |
| InChI | InChI=1S/C13H12ClN3O/c14-9-1-5-11(6-2-9)16-13(18)17-12-7-3-10(15)4-8-12/h1-8H,15H2,(H2,16,17,18) |
| InChI Key | FSPSGXONYSJIKK-UHFFFAOYSA-N |
| MDL Number | MFCD02188613 |
| Molecular Formula | C13H12ClN3O |
| Molecular Weight | 261.7069 |
| SMILES | NC1=CC=C(C=C1)NC(NC1=CC=C(C=C1)Cl)=O |
| Synonyms | 3-(4-aminophenyl)-1-(4-chlorophenyl)urea,
50906-33-7,
1-(4-aminophenyl)-3-(4-chlorophenyl)urea,
AC1LDYTB,
Oprea1_342921,
Oprea1_553650,
AC1Q522X,
SCHEMBL12973530,
CTK1E5471,
ZINC86893,
DTXSID00351564,
STK073749,
AKOS000204962,
MCULE-5677900535,
NE32773,
EN300-55138,
Urea, N-(4-aminophenyl)-N'-(4-chlorophenyl)-,
Z57197693,
CID703625,
ZINC00086893,
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| Complexity | 271 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.709g/mol |
| Monoisotopic Mass | 261.067g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 67.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number