| CAS Number | 733794-85-9 |
| Catalog Number | AG00JAIV |
| Chemical Name | N-(2-chlorophenyl)-2-(N'-hydroxycarbamimidoyl)acetamide |
| IUPAC Name | 3-amino-N-(2-chlorophenyl)-3-hydroxyiminopropanamide |
| InChI | InChI=1S/C9H10ClN3O2/c10-6-3-1-2-4-7(6)12-9(14)5-8(11)13-15/h1-4,15H,5H2,(H2,11,13)(H,12,14) |
| InChI Key | ISAQYFYVRMYXTH-UHFFFAOYSA-N |
| MDL Number | MFCD04610248 |
| Molecular Formula | C9H10ClN3O2 |
| Molecular Weight | 227.6476 |
| SMILES | NC(CC(NC1=C(Cl)C=CC=C1)=O)=NO |
| Synonyms | 733794-85-9,
N-(2-chlorophenyl)-2-(N'-hydroxycarbamimidoyl)acetamide,
AC1M6ML7,
(3Z)-3-amino-N-(2-chlorophenyl)-3-(hydroxyimino)propanamide,
CTK8A6730,
CTK8G1257,
AKOS030698576,
3-amino-N-(2-chlorophenyl)-3-hydroxyiminopropanamide,
ZINC03886460,
CID2451336,
N-(2-Chloro-phenyl)-2-(N-hydroxycarbamimidoyl)-acetamide,
|
| Complexity | 258 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.648g/mol |
| Monoisotopic Mass | 227.046g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 87.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 0.6 |
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Certificate of Analysis
Lot Number