| CAS Number | 1820687-44-2 |
| Catalog Number | AG01AMVH |
| Chemical Name | 1-phenyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole hydrochloride |
| IUPAC Name | 1-phenyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole;hydrochloride |
| InChI | InChI=1S/C11H11N3.ClH/c1-2-4-10(5-3-1)14-11-8-12-6-9(11)7-13-14;/h1-5,7,12H,6,8H2;1H |
| InChI Key | LWHQZYBYWWYQKO-UHFFFAOYSA-N |
| MDL Number | MFCD22570190 |
| Molecular Formula | C11H12ClN3 |
| Molecular Weight | 221.6861 |
| SMILES | Cl.C1C2C=NN(C3=CC=CC=C3)C=2CN1 |
| Synonyms | 1-phenyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole hydrochloride,
1820687-44-2,
AKOS027196620,
AS-70460,
Z2218556263,
|
| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.071975g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.68g/mol |
| Monoisotopic Mass | 221.071975g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.8Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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