[4-(1H-Tetrazol-1-yl)phenoxy]acetic acid - CAS 832740-47-3
Catalog: |
BB047045 |
Product Name: |
[4-(1H-Tetrazol-1-yl)phenoxy]acetic acid |
CAS: |
832740-47-3 |
Synonyms: |
(4-Tetrazol-1-yl-phenoxy)-acetic acid; 2-(4-(1H-tetrazol-1-yl)phenoxy)acetic acid; 2-[4-(1H-1,2,3,4-tetrazol-1-yl)phenoxy]acetic acid |
IUPAC Name: | 2-[4-(tetrazol-1-yl)phenoxy]acetic acid |
Description: | [4-(1H-Tetrazol-1-yl)phenoxy]acetic acid (CAS# 832740-47-3 ) is a useful research chemical. |
Molecular Weight: | 220.18 |
Molecular Formula: | C9H8N4O3 |
Canonical SMILES: | C1=CC(=CC=C1N2C=NN=N2)OCC(=O)O |
InChI: | InChI=1S/C9H8N4O3/c14-9(15)5-16-8-3-1-7(2-4-8)13-6-10-11-12-13/h1-4,6H,5H2,(H,14,15) |
InChI Key: | LFHALYQHTJOQOT-UHFFFAOYSA-N |
Boiling Point: | 454.1 ℃ at 760 mmHg |
Purity: | 95 % |
Density: | 1.5 g/cm3 |
Complexity: | 243 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 220.05964013 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 220.05964013 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 90.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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