5-(4-Methoxy-benzyl)-2H-tetrazole - CAS 132372-75-9
Catalog: |
BB050523 |
Product Name: |
5-(4-Methoxy-benzyl)-2H-tetrazole |
CAS: |
132372-75-9 |
Synonyms: |
5-((4-methoxyphenyl)methyl)-1H-tetrazole; 5-(4-methoxybenzyl)-2H-tetrazole |
IUPAC Name: | 5-[(4-methoxyphenyl)methyl]-2H-tetrazole |
Description: | 5-(4-Methoxy-benzyl)-2H-tetrazole (CAS# 132372-75-9 ) is a useful research chemical. |
Molecular Weight: | 190.2 |
Molecular Formula: | C9H10N4O |
Canonical SMILES: | COC1=CC=C(C=C1)CC2=NNN=N2 |
InChI: | InChI=1S/C9H10N4O/c1-14-8-4-2-7(3-5-8)6-9-10-12-13-11-9/h2-5H,6H2,1H3,(H,10,11,12,13) |
InChI Key: | IWWXWEYVLHRYML-UHFFFAOYSA-N |
Boiling Point: | 395.6±44.0 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.3±0.1 g/cm3 |
Complexity: | 170 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 190.08546096 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 190.08546096 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 63.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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