| CAS Number | 1094493-26-1 |
| Catalog Number | AG019QKP |
| Chemical Name | 3-amino-1-(4-bromo-2-chlorophenyl)urea |
| IUPAC Name | 1-amino-3-(4-bromo-2-chlorophenyl)urea |
| InChI | InChI=1S/C7H7BrClN3O/c8-4-1-2-6(5(9)3-4)11-7(13)12-10/h1-3H,10H2,(H2,11,12,13) |
| InChI Key | ZSCDUILUQDWLTK-UHFFFAOYSA-N |
| MDL Number | MFCD11644706 |
| Molecular Formula | C7H7BrClN3O |
| Molecular Weight | 264.5070 |
| SMILES | NNC(NC1=C(Cl)C=C(Br)C=C1)=O |
| Synonyms | 3-amino-1-(4-bromo-2-chlorophenyl)urea,
1094493-26-1,
EN300-87859,
ZINC36963758,
AKOS009362477,
FCH5275361,
NE25778,
BBV-5728623,
|
| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.946g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.507g/mol |
| Monoisotopic Mass | 262.946g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 67.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number