3-(Chloromethyl)-4-ethyl-5-methyl-4H-1,2,4-triazole Hydrochloride - CAS 1394041-77-0
Catalog: |
BB008941 |
Product Name: |
3-(Chloromethyl)-4-ethyl-5-methyl-4H-1,2,4-triazole Hydrochloride |
CAS: |
1394041-77-0 |
Synonyms: |
3-(chloromethyl)-4-ethyl-5-methyl-1,2,4-triazole;hydrochloride; 3-(chloromethyl)-4-ethyl-5-methyl-1,2,4-triazole;hydrochloride |
IUPAC Name: | 3-(chloromethyl)-4-ethyl-5-methyl-1,2,4-triazole;hydrochloride |
Description: | 3-(Chloromethyl)-4-ethyl-5-methyl-4H-1,2,4-triazole Hydrochloride (CAS# 1394041-77-0 ) is a useful research chemical. |
Molecular Weight: | 196.08 |
Molecular Formula: | C6H11Cl2N3 |
Canonical SMILES: | CCN1C(=NN=C1CCl)C.Cl |
InChI: | InChI=1S/C6H10ClN3.ClH/c1-3-10-5(2)8-9-6(10)4-7;/h3-4H2,1-2H3;1H |
InChI Key: | ITVRQYNFDDAJBK-UHFFFAOYSA-N |
Complexity: | 109 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 195.0330028 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 195.0330028 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 30.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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