5-(3-Chlorobenzyl)-2H-tetrazole - CAS 728024-40-6
Catalog: |
BB049428 |
Product Name: |
5-(3-Chlorobenzyl)-2H-tetrazole |
CAS: |
728024-40-6 |
Synonyms: |
5-(3-Chloro-benzyl)-2H-tetrazole; 5-[(3-chlorophenyl)methyl]-2H-1,2,3,4-tetraazole |
IUPAC Name: | 5-[(3-chlorophenyl)methyl]-2H-tetrazole |
Description: | 5-(3-Chlorobenzyl)-2H-tetrazole (CAS# 728024-40-6 ) is a useful research chemical. |
Molecular Weight: | 194.62 |
Molecular Formula: | C8H7ClN4 |
Canonical SMILES: | C1=CC(=CC(=C1)Cl)CC2=NNN=N2 |
InChI: | InChI=1S/C8H7ClN4/c9-7-3-1-2-6(4-7)5-8-10-12-13-11-8/h1-4H,5H2,(H,10,11,12,13) |
InChI Key: | VIWWDINFPKJOQZ-UHFFFAOYSA-N |
Boiling Point: | 387.0±44.0 ℃ at 760 mmHg |
Density: | 1.4±0.1 g/cm3 |
Complexity: | 166 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 194.0359239 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.0359239 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 54.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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