1-(2-Chloro-4-fluorobenzyl)-1H-1,2,4-triazol-3-amine - CAS 832741-20-5
Catalog: |
BB045807 |
Product Name: |
1-(2-Chloro-4-fluorobenzyl)-1H-1,2,4-triazol-3-amine |
CAS: |
832741-20-5 |
Synonyms: |
1-(2-Chloro-4-fluoro-benzyl)-1H-[1,2,4]triazol-3-ylamine |
IUPAC Name: | 1-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-triazol-3-amine |
Description: | 1-(2-Chloro-4-fluorobenzyl)-1H-1,2,4-triazol-3-amine (CAS# 832741-20-5 ) is a useful research chemical. |
Molecular Weight: | 226.64 |
Molecular Formula: | C9H8ClFN4 |
Canonical SMILES: | C1=CC(=C(C=C1F)Cl)CN2C=NC(=N2)N |
InChI: | InChI=1S/C9H8ClFN4/c10-8-3-7(11)2-1-6(8)4-15-5-13-9(12)14-15/h1-3,5H,4H2,(H2,12,14) |
InChI Key: | AQRVJMONBCVKBA-UHFFFAOYSA-N |
Boiling Point: | 421.7±55.0 ℃ at 760 mmHg |
Density: | 1.5±0.1 g/cm3 |
Appearance: | Solid |
Complexity: | 218 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 226.0421521 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 226.0421521 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 56.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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