[3-(1H-Tetrazol-1-yl)phenoxy]acetic acid - CAS 462067-31-8

Catalog:	BB047046
Product Name:	[3-(1H-Tetrazol-1-yl)phenoxy]acetic acid
CAS:	462067-31-8
Synonyms:	2-(3-(1,2,3,4-tetraazolyl)phenoxy)acetic acid

Technical Data

Computed Properties

IUPAC Name:	2-[3-(tetrazol-1-yl)phenoxy]acetic acid
Description:	[3-(1H-Tetrazol-1-yl)phenoxy]acetic acid (CAS# 462067-31-8 ) is a useful research chemical.
Molecular Weight:	220.18
Molecular Formula:	C9H8N4O3
Canonical SMILES:	C1=CC(=CC(=C1)OCC(=O)O)N2C=NN=N2
InChI:	InChI=1S/C9H8N4O3/c14-9(15)5-16-8-3-1-2-7(4-8)13-6-10-11-12-13/h1-4,6H,5H2,(H,14,15)
InChI Key:	IHKNZQHGINFJJV-UHFFFAOYSA-N
Boiling Point:	466.3 °C at 760 mmHg
Purity:	95 %
Density:	1.5 g/cm³

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[2168559-63-3]
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride
[927676-51-5]
2-(6-Bromo-3-indolyl)-2-oxoacetic Acid

Nitrogen Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1427004-19-0]
DBCO-PEG4-NHS ester
[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[55877-31-1]
1-Benzofuran-3-carbonitrile
[2241982-86-3]
3-(Phenyl-2-D)propanenitrile-2,2-D2
[247077-46-9]
3-Fluoro-6-methyl-2-nitropyridine

Oxygen Compounds

[544-62-7]
Batyl alcohol
[134769-80-5]
3-Methylphenylacetaldehyde dimethyl acetal
[77987-49-6]
Z-Glycinol
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[202288-73-1]
2-(Pyridin-3-ylmethoxy)aniline dihydrochloride
[1183749-69-0]
2-(pyrimidin-2-yloxy)phenol

Triazole/Tetrazole

[6926-51-8]
5-(4-Methoxyphenyl)-2H-tetrazole
[828291-81-2]
5-(3-((2-Bromophenoxy)methyl)phenyl)-4-ethyl-4H-1,2,4-triazole-3-thiol
[1005680-56-7]
Ethyl ({4-ethyl-5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-YL]-4H-1,2,4-triazol-3-YL}thio)acetate
[1823442-03-0]
Ethyl 2-(3-bromo-1H-1,2,4-triazol-1-yl)butanoate
[1823783-63-6]
Ethyl 2-(3-chloro-1H-1,2,4-triazol-1-yl)acetate
[483993-77-7]
N-(2-Ethoxyphenyl)-3-(2-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide

Complexity:	251
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