1-(2-Fluorobenzyl)-1H-1,2,4-triazol-3-amine - CAS 832740-23-5
Catalog: |
BB045799 |
Product Name: |
1-(2-Fluorobenzyl)-1H-1,2,4-triazol-3-amine |
CAS: |
832740-23-5 |
Synonyms: |
1-(2-Fluoro-benzyl)-1H-[1,2,4]triazol-3-ylamine; 1-[(2-fluorophenyl)methyl]-1,2,4-triazole-3-ylamine |
IUPAC Name: | 1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-amine |
Description: | 1-(2-Fluorobenzyl)-1H-1,2,4-triazol-3-amine (CAS# 832740-23-5 ) is a useful research chemical. |
Molecular Weight: | 192.19 |
Molecular Formula: | C9H9FN4 |
Canonical SMILES: | C1=CC=C(C(=C1)CN2C=NC(=N2)N)F |
InChI: | InChI=1S/C9H9FN4/c10-8-4-2-1-3-7(8)5-14-6-12-9(11)13-14/h1-4,6H,5H2,(H2,11,13) |
InChI Key: | RCNGYKFDIGXLKW-UHFFFAOYSA-N |
Boiling Point: | 395.0±44.0 °C at 760 mmHg |
Density: | 1.4±0.1 g/cm3 |
Complexity: | 190 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 192.08112447 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 192.08112447 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 56.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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