1-(2-Chloro-6-fluorobenzyl)-1H-1,2,4-triazol-3-amine - CAS 832738-10-0
Catalog: |
BB046456 |
Product Name: |
1-(2-Chloro-6-fluorobenzyl)-1H-1,2,4-triazol-3-amine |
CAS: |
832738-10-0 |
Synonyms: |
1-(2-Chloro-6-fluoro-benzyl)-1H-[1,2,4]triazol-3-ylamine |
IUPAC Name: | 1-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-triazol-3-amine |
Description: | 1-(2-Chloro-6-fluorobenzyl)-1H-1,2,4-triazol-3-amine (CAS# 832738-10-0 ) is a useful research chemical. |
Molecular Weight: | 226.64 |
Molecular Formula: | C9H8ClFN4 |
Canonical SMILES: | C1=CC(=C(C(=C1)Cl)CN2C=NC(=N2)N)F |
InChI: | InChI=1S/C9H8ClFN4/c10-7-2-1-3-8(11)6(7)4-15-5-13-9(12)14-15/h1-3,5H,4H2,(H2,12,14) |
InChI Key: | KDFPXBZARAYDLS-UHFFFAOYSA-N |
Boiling Point: | 416.1±55.0 °C at 760 mmHg |
Density: | 1.5±0.1 g/cm3 |
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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