| CAS Number | 1201657-76-2 |
| Catalog Number | AG01EL1V |
| Chemical Name | 1-(azetidin-3-yl)-4-bromo-1H-pyrazole hydrochloride |
| IUPAC Name | 1-(azetidin-3-yl)-4-bromopyrazole;hydrochloride |
| InChI | InChI=1S/C6H8BrN3.ClH/c7-5-1-9-10(4-5)6-2-8-3-6;/h1,4,6,8H,2-3H2;1H |
| InChI Key | GWWBOLFYZWXRNV-UHFFFAOYSA-N |
| MDL Number | MFCD31615835 |
| Molecular Formula | C6H9BrClN3 |
| Molecular Weight | 238.5128 |
| SMILES | Cl.N1CC(C1)N1N=CC(=C1)Br |
| Synonyms | SCHEMBL1427789,
GWWBOLFYZWXRNV-UHFFFAOYSA-N,
1-Azetidin-3-yl-4-bromo-1H-pyrazole hydrochloride,
1-(azetidin-3-yl)-4-bromo-1H-pyrazole hydrochloride,
1201657-76-2,
|
| Complexity | 126 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.967g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.513g/mol |
| Monoisotopic Mass | 236.967g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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