1-(4-Fluorobenzyl)-3-nitro-1H-1,2,4-triazole - CAS 675130-87-7

Catalog:	BB049543
Product Name:	1-(4-Fluorobenzyl)-3-nitro-1H-1,2,4-triazole
CAS:	675130-87-7
Synonyms:	1-(4-Fluoro-benzyl)-3-nitro-1H-[1,2,4]triazole

Technical Data

Computed Properties

IUPAC Name:	1-[(4-fluorophenyl)methyl]-3-nitro-1,2,4-triazole
Description:	1-(4-Fluorobenzyl)-3-nitro-1H-1,2,4-triazole (CAS# 675130-87-7 ) is a useful research chemical.
Molecular Weight:	222.18
Molecular Formula:	C9H7FN4O2
Canonical SMILES:	C1=CC(=CC=C1CN2C=NC(=N2)[N+](=O)[O-])F
InChI:	InChI=1S/C9H7FN4O2/c10-8-3-1-7(2-4-8)5-13-6-11-9(12-13)14(15)16/h1-4,6H,5H2
InChI Key:	YXZAQSWOIBJAGG-UHFFFAOYSA-N
Boiling Point:	441.2±47.0 °C at 760 mmHg
Density:	1.5±0.1 g/cm³

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Related Functional Groups

Halides

[859473-05-5]
N-(3,4-Dichlorophenyl)-1,3-thiazol-2-amine
[1855911-19-1]
1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride
[1448610-48-7]
1-(4-Bromo-3-methylphenyl)cyclobutanol
[932890-93-2]
1-{4-[(2,4-Dichlorobenzyl)oxy]-3-ethoxyphenyl}methanamine
[444581-46-8]
1-Bromo-2-(1,1-difluoroethyl)benzene
[1431970-24-9]
2,2-Difluoro-N-[1-(1-methylpyrazol-4-yl)ethyl]ethanamine hydrochloride

Nitrogen Compounds

[32894-07-8]
Benzyl thioacetimidate hydrochloride
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[55877-31-1]
1-Benzofuran-3-carbonitrile
[78056-67-4]
2-(1-Benzyl-4-piperidyl)acetonitrile
[2006278-12-0]
2-[(5-Bromo-3-pyridyl)oxy]-2-phenylacetonitrile

Triazole/Tetrazole

[25537-64-8]
4,5-Dibromo-1-methyl-1,2,3-triazole
[1005680-56-7]
Ethyl ({4-ethyl-5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-YL]-4H-1,2,4-triazol-3-YL}thio)acetate
[1243250-13-6]
Ethyl (3-bromo-1H-1,2,4-triazol-1-yl)acetate
[1823442-03-0]
Ethyl 2-(3-bromo-1H-1,2,4-triazol-1-yl)butanoate
[1798723-20-2]
2-(5-Bromo-1H-1,2,4-triazol-1-yl)butanoic acid
[1798731-93-7]
2-(5-Bromo-1H-1,2,4-triazol-1-yl)propanoic acid

Complexity:	252
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	222.05530364
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	222.05530364
Rotatable Bond Count:	2
Topological Polar Surface Area:	76.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2