| CAS Number | 1221723-37-0 |
| Catalog Number | AG01A849(AGN-PC-0WO14Q) |
| Chemical Name | 2-amino-4-chloro-1-phenyl-1H-imidazole-5-carbaldehyde |
| IUPAC Name | 2-amino-5-chloro-3-phenylimidazole-4-carbaldehyde |
| InChI | InChI=1S/C10H8ClN3O/c11-9-8(6-15)14(10(12)13-9)7-4-2-1-3-5-7/h1-6H,(H2,12,13) |
| InChI Key | KUPFMGQMOAYLPW-UHFFFAOYSA-N |
| MDL Number | MFCD15209613 |
| Molecular Formula | C10H8ClN3O |
| Molecular Weight | 221.6430 |
| SMILES | NC1N(C2=CC=CC=C2)C(C=O)=C(Cl)N=1 |
| Synonyms | 2-amino-4-chloro-1-phenyl-1H-imidazole-5-carbaldehyde,
1221723-37-0,
AC1Q52PT,
CTK7H8121,
ZINC47843805,
AKOS026726430,
MCULE-5996571886,
NE49154,
EN300-60687,
|
| Complexity | 233 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.644g/mol |
| Monoisotopic Mass | 221.036g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 60.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number