3-(Bromomethyl)-1-methyl-1,2,4-triazole - CAS 1312601-14-1
Catalog: |
BB007277 |
Product Name: |
3-(Bromomethyl)-1-methyl-1,2,4-triazole |
CAS: |
1312601-14-1 |
Synonyms: |
3-(bromomethyl)-1-methyl-1,2,4-triazole; 3-(bromomethyl)-1-methyl-1,2,4-triazole |
IUPAC Name: | 3-(bromomethyl)-1-methyl-1,2,4-triazole |
Description: | 3-(Bromomethyl)-1-methyl-1,2,4-triazole (CAS# 1312601-14-1 ) is a useful research chemical. |
Molecular Weight: | 176.01 |
Molecular Formula: | C4H6BrN3 |
Canonical SMILES: | CN1C=NC(=N1)CBr |
InChI: | InChI=1S/C4H6BrN3/c1-8-3-6-4(2-5)7-8/h3H,2H2,1H3 |
InChI Key: | OHHUXUIPLIQQKZ-UHFFFAOYSA-N |
LogP: | 0.71000 |
Publication Number | Title | Priority Date |
EP-2516445-B1 | Tricyclic derivatives and their pharmaceutical use and compositions | 20091222 |
ES-2539382-T3 | Tricyclic derivatives and their pharmaceutical use and compositions | 20091222 |
AU-2010332955-A1 | 3,4,4a,10b-tetrahydro-1H-thiopyrano-[4, 3-c] isoquinoline derivatives | 20091218 |
AU-2010332955-B2 | 3,4,4a,10b-tetrahydro-1H-thiopyrano-[4, 3-c] isoquinoline derivatives | 20091218 |
AU-2010332955-B8 | 3,4,4a,10b-tetrahydro-1H-thiopyrano-[4, 3-c] isoquinoline derivatives | 20091218 |
Complexity: | 77.7 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 174.97451 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 174.97451 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 30.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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