5-(4-Difluoromethoxy-phenyl)-2H-tetrazole - CAS 832740-88-2

Catalog:	BB049370
Product Name:	5-(4-Difluoromethoxy-phenyl)-2H-tetrazole
CAS:	832740-88-2
Synonyms:	5-(4-(Difluoromethoxy)phenyl)-2H-tetrazole; (4-(2H-1,2,3,4-tetraazol-5-yl)phenoxy)difluoromethane

Technical Data

Computed Properties

IUPAC Name:	5-[4-(difluoromethoxy)phenyl]-2H-tetrazole
Description:	5-(4-Difluoromethoxy-phenyl)-2H-tetrazole (CAS# 832740-88-2 ) is a useful research chemical.
Molecular Weight:	212.16
Molecular Formula:	C8H6F2N4O
Canonical SMILES:	C1=CC(=CC=C1C2=NNN=N2)OC(F)F
InChI:	InChI=1S/C8H6F2N4O/c9-8(10)15-6-3-1-5(2-4-6)7-11-13-14-12-7/h1-4,8H,(H,11,12,13,14)
InChI Key:	RUBKYAZIXMYFTQ-UHFFFAOYSA-N
Boiling Point:	356.7±52.0 °C at 760 mmHg
Density:	1.4±0.1 g/cm³
Appearance:	White solid

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Related Functional Groups

Halides

[134005-20-2]
(Z)-1,3-Diiodo-2-butene
[1855911-19-1]
1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride
[1431970-24-9]
2,2-Difluoro-N-[1-(1-methylpyrazol-4-yl)ethyl]ethanamine hydrochloride
[452-76-6]
2,4-Difluorotoluene
[2114-39-8]
2-Bromo-1-phenylpropane
[393841-81-1]
2'-Bromo-2,7-DI-tert-butyl-9,9'-spirobi[fluorene]

Oxygen Compounds

[134769-80-5]
3-Methylphenylacetaldehyde dimethyl acetal
[1427004-19-0]
DBCO-PEG4-NHS ester
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[5333-45-9]
1,2,3,5-Tetramethoxybenzene
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[2960-93-2]
2,2'-Dimethoxy-1,1'-binaphthalene

Triazole/Tetrazole

[25537-64-8]
4,5-Dibromo-1-methyl-1,2,3-triazole
[1823402-86-3]
Ethyl 2-(3-bromo-1H-1,2,4-triazol-1-yl)propanoate
[1823462-45-8]
Ethyl 2-(3-chloro-1H-1,2,4-triazol-1-yl)butanoate
[1823967-22-1]
Ethyl 2-(3-chloro-1H-1,2,4-triazol-1-yl)propanoate
[1823783-80-7]
Ethyl 4-(3-bromo-1H-1,2,4-triazol-1-yl)butanoate
[1823782-28-0]
2-[2-(propan-2-yl)-2H-1,2,3-triazol-4-yl]acetic acid

Complexity:	199
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	212.05096715
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	212.05096715
Rotatable Bond Count:	3
Topological Polar Surface Area:	63.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1