5-Fluoro-2-(1H-1,2,4-triazol-1-yl)aniline - CAS 869942-02-9

Catalog:	BB049704
Product Name:	5-Fluoro-2-(1H-1,2,4-triazol-1-yl)aniline
CAS:	869942-02-9
Synonyms:	5-fluoro-2-(1,2,4-triazolyl)phenylamine

Technical Data

Computed Properties

IUPAC Name:	5-fluoro-2-(1,2,4-triazol-1-yl)aniline
Description:	5-Fluoro-2-(1H-1,2,4-triazol-1-yl)aniline (CAS# 869942-02-9 ) is a useful research chemical.
Molecular Weight:	178.17
Molecular Formula:	C8H7FN4
Canonical SMILES:	C1=CC(=C(C=C1F)N)N2C=NC=N2
InChI:	InChI=1S/C8H7FN4/c9-6-1-2-8(7(10)3-6)13-5-11-4-12-13/h1-5H,10H2
InChI Key:	DJOJGYWPJKAVTO-UHFFFAOYSA-N
Boiling Point:	362.0±52.0 °C (Predicted)
Density:	1.43±0.1 g/cm³(Predicted)
Appearance:	Solid

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Related Functional Groups

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Halides

[1225940-17-9]
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1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride
[1448610-48-7]
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[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[111-85-3]
1-Chlorooctane

Triazole/Tetrazole

[25537-64-8]
4,5-Dibromo-1-methyl-1,2,3-triazole
[1823442-03-0]
Ethyl 2-(3-bromo-1H-1,2,4-triazol-1-yl)butanoate
[1823402-59-0]
Ethyl 2-(5-bromo-1H-1,2,4-triazol-1-yl)butanoate
[1823783-80-7]
Ethyl 4-(3-bromo-1H-1,2,4-triazol-1-yl)butanoate
[4928-88-5]
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[483993-77-7]
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Complexity:	178
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	178.0654744
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	178.0654744
Rotatable Bond Count:	1
Topological Polar Surface Area:	56.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1