3-(Chloromethyl)-5-isopropyl-4-methyl-4H-1,2,4-triazole Hydrochloride - CAS 1432681-31-6
Catalog: |
BB009537 |
Product Name: |
3-(Chloromethyl)-5-isopropyl-4-methyl-4H-1,2,4-triazole Hydrochloride |
CAS: |
1432681-31-6 |
Synonyms: |
3-(chloromethyl)-4-methyl-5-propan-2-yl-1,2,4-triazole;hydrochloride; 3-(chloromethyl)-4-methyl-5-propan-2-yl-1,2,4-triazole;hydrochloride |
IUPAC Name: | 3-(chloromethyl)-4-methyl-5-propan-2-yl-1,2,4-triazole;hydrochloride |
Description: | 3-(Chloromethyl)-5-isopropyl-4-methyl-4H-1,2,4-triazole Hydrochloride (CAS# 1432681-31-6 ) is a useful research chemical. |
Molecular Weight: | 210.10 |
Molecular Formula: | C7H13Cl2N3 |
Canonical SMILES: | CC(C)C1=NN=C(N1C)CCl.Cl |
InChI: | InChI=1S/C7H12ClN3.ClH/c1-5(2)7-10-9-6(4-8)11(7)3;/h5H,4H2,1-3H3;1H |
InChI Key: | JEFYUBFAMVXLCM-UHFFFAOYSA-N |
Complexity: | 129 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 209.0486528 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 209.0486528 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 30.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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