1-(4-Fluorobenzyl)-3-nitro-1H-1,2,4-triazole - CAS 675130-87-7
Catalog: |
BB049543 |
Product Name: |
1-(4-Fluorobenzyl)-3-nitro-1H-1,2,4-triazole |
CAS: |
675130-87-7 |
Synonyms: |
1-(4-Fluoro-benzyl)-3-nitro-1H-[1,2,4]triazole |
IUPAC Name: | 1-[(4-fluorophenyl)methyl]-3-nitro-1,2,4-triazole |
Description: | 1-(4-Fluorobenzyl)-3-nitro-1H-1,2,4-triazole (CAS# 675130-87-7 ) is a useful research chemical. |
Molecular Weight: | 222.18 |
Molecular Formula: | C9H7FN4O2 |
Canonical SMILES: | C1=CC(=CC=C1CN2C=NC(=N2)[N+](=O)[O-])F |
InChI: | InChI=1S/C9H7FN4O2/c10-8-3-1-7(2-4-8)5-13-6-11-9(12-13)14(15)16/h1-4,6H,5H2 |
InChI Key: | YXZAQSWOIBJAGG-UHFFFAOYSA-N |
Boiling Point: | 441.2±47.0 ℃ at 760 mmHg |
Density: | 1.5±0.1 g/cm3 |
Complexity: | 252 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 222.05530364 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 222.05530364 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 76.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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