1-(2,2-Difluoroethyl)-3-nitro-1H-1,2,4-triazole - CAS 1018144-04-1
Catalog: |
BB048252 |
Product Name: |
1-(2,2-Difluoroethyl)-3-nitro-1H-1,2,4-triazole |
CAS: |
1018144-04-1 |
Synonyms: |
1-(2,2-difluoroethyl)-3-nitro-1H-1,2,4-triazole |
IUPAC Name: | 1-(2,2-difluoroethyl)-3-nitro-1,2,4-triazole |
Description: | 1-(2,2-Difluoroethyl)-3-nitro-1H-1,2,4-triazole (CAS# 1018144-04-1 ) is a useful research chemical. |
Molecular Weight: | 178.10 |
Molecular Formula: | C4H4F2N4O2 |
Canonical SMILES: | C1=NC(=NN1CC(F)F)[N+](=O)[O-] |
InChI: | InChI=1S/C4H4F2N4O2/c5-3(6)1-9-2-7-4(8-9)10(11)12/h2-3H,1H2 |
InChI Key: | NQEXCUHZQFKHHU-UHFFFAOYSA-N |
Complexity: | 173 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 178.03023171 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 178.03023171 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 76.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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