| CAS Number | 1255717-46-4 |
| Catalog Number | AG00J1P6 |
| Chemical Name | 5-(4-Chlorophenyl)-1H-imidazol-2-amine hydrate |
| IUPAC Name | 5-(4-chlorophenyl)-1H-imidazol-2-amine;hydrate |
| InChI | InChI=1S/C9H8ClN3.H2O/c10-7-3-1-6(2-4-7)8-5-12-9(11)13-8;/h1-5H,(H3,11,12,13);1H2 |
| InChI Key | BVNPMFMSPGDRRY-UHFFFAOYSA-N |
| MDL Number | MFCD13193977 |
| Molecular Formula | C9H10ClN3O |
| Molecular Weight | 211.6482 |
| SMILES | N1C(C2C=CC(=CC=2)Cl)=CN=C1N.O |
| Synonyms | 5-(4-Chlorophenyl)-1H-imidazol-2-amine hydrate,
1255717-46-4,
ZX-CM005612,
MFCD13193977,
AKOS027426891,
5-(4-Chlorophenyl)-1H-imidazol-2-amine hydrate, AldrichCPR,
60472-18-6,
|
| Complexity | 168 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.649g/mol |
| Monoisotopic Mass | 211.051g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 55.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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