| CAS Number | 83375-00-2 |
| Catalog Number | AG01AHT0 |
| Chemical Name | 3-amino-1-[(4-chlorophenyl)methyl]urea |
| IUPAC Name | 1-amino-3-[(4-chlorophenyl)methyl]urea |
| InChI | InChI=1S/C8H10ClN3O/c9-7-3-1-6(2-4-7)5-11-8(13)12-10/h1-4H,5,10H2,(H2,11,12,13) |
| InChI Key | ASLCMAGECHMPBO-UHFFFAOYSA-N |
| MDL Number | MFCD11212583 |
| Molecular Formula | C8H10ClN3O |
| Molecular Weight | 199.6375 |
| SMILES | NNC(NCC1=CC=C(Cl)C=C1)=O |
| Synonyms | 3-amino-1-[(4-chlorophenyl)methyl]urea,
83375-00-2,
EN300-75702,
ZINC36947988,
FCH5888387,
NE29002,
BBV-5127821,
|
| Complexity | 169 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.638g/mol |
| Monoisotopic Mass | 199.051g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 67.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number