5- Bromo- 3- (methoxymethyl) - 1- methyl-1H- 1, 2, 4- triazole - CAS 2470437-45-5
Catalog: |
BB055224 |
Product Name: |
5- Bromo- 3- (methoxymethyl) - 1- methyl-1H- 1, 2, 4- triazole |
CAS: |
2470437-45-5 |
Synonyms: |
5-Bromo-3-(methoxymethyl)-1-methyl-1,2,4-triazole; 5-BROMO-3-(METHOXYMETHYL)-1-METHYL-1H-1,2,4-TRIAZOLE; 1H-1,2,4-triazole, 5-bromo-3-(methoxymethyl)-1-methyl- |
IUPAC Name: | 5-bromo-3-(methoxymethyl)-1-methyl-1,2,4-triazole |
Molecular Weight: | 206.04 |
Molecular Formula: | C5H8BrN3O |
Canonical SMILES: | CN1C(=NC(=N1)COC)Br |
InChI: | InChI=1S/C5H8BrN3O/c1-9-5(6)7-4(8-9)3-10-2/h3H2,1-2H3 |
InChI Key: | RLTZWSJMBYCPOG-UHFFFAOYSA-N |
Complexity: | 113 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 204.98507 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 204.98507 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 39.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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