| CAS Number | 1443423-45-7 |
| Catalog Number | AG00J0X3 |
| Chemical Name | 1-(1H-1,2,4-triazol-1-yl)acetone hydrochloride |
| IUPAC Name | 1-(1,2,4-triazol-1-yl)propan-2-one;hydrochloride |
| InChI | InChI=1S/C5H7N3O.ClH/c1-5(9)2-8-4-6-3-7-8;/h3-4H,2H2,1H3;1H |
| InChI Key | HDKABAVXEIDCHQ-UHFFFAOYSA-N |
| MDL Number | MFCD13186036 |
| Molecular Formula | C5H8ClN3O |
| Molecular Weight | 161.5895 |
| SMILES | N1=CN(N=C1)CC(C)=O.Cl |
| Synonyms | 1-(1H-1,2,4-Triazol-1-yl)acetone hydrochloride,
1443423-45-7,
ZX-CM001876,
MFCD13186036,
AKOS024397809,
MCULE-7925462566,
1-(1H-1,2,4-Triazol-1-yl)acetone,
64882-52-6,
|
| Complexity | 115 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 161.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 161.589g/mol |
| Monoisotopic Mass | 161.036g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 47.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number