3-Chloro-2-(1H-1,2,4-triazol-1-yl)aniline - CAS 869942-81-4

Catalog:	BB042651
Product Name:	3-Chloro-2-(1H-1,2,4-triazol-1-yl)aniline
CAS:	869942-81-4
Synonyms:	3-chloro-2-(1,2,4-triazolyl)phenylamine

Technical Data

Computed Properties

IUPAC Name:	3-chloro-2-(1,2,4-triazol-1-yl)aniline
Description:	3-Chloro-2-(1H-1,2,4-triazol-1-yl)aniline (CAS# 869942-81-4 ) is a useful research chemical.
Molecular Weight:	194.62
Molecular Formula:	C8H7ClN4
Canonical SMILES:	C1=CC(=C(C(=C1)Cl)N2C=NC=N2)N
InChI:	InChI=1S/C8H7ClN4/c9-6-2-1-3-7(10)8(6)13-5-11-4-12-13/h1-5H,10H2
InChI Key:	YOFRRPZMAXQKGJ-UHFFFAOYSA-N

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Related Functional Groups

Amines and Anilines

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1-(3-Chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazole-5-ylamine
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1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride
[1820736-42-2]
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[932890-93-2]
1-{4-[(2,4-Dichlorobenzyl)oxy]-3-ethoxyphenyl}methanamine
[1082066-00-9]
1-Cyclopropyl-1H-pyrazole-4-carbaldehyde
[17583-40-3]
2-(Methylamino)benzonitrile

Halides

[1106917-71-8]
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[1448610-48-7]
1-(4-Bromo-3-methylphenyl)cyclobutanol
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole

Triazole/Tetrazole

[828291-81-2]
5-(3-((2-Bromophenoxy)methyl)phenyl)-4-ethyl-4H-1,2,4-triazole-3-thiol
[1415314-22-5]
6-Chloro-8-iodo-[1,2,4]triazolo[1,5-a]pyridine
[1823783-63-6]
Ethyl 2-(3-chloro-1H-1,2,4-triazol-1-yl)acetate
[86152-46-7]
Ethyl 2-(5-amino-4H-1,2,4-triazol-3-yl)acetate
[1823829-53-3]
Ethyl 2-(5-chloro-1H-1,2,4-triazol-1-yl)propanoate
[1823402-73-8]
Ethyl 4-(3-chloro-1H-1,2,4-triazol-1-yl)butanoate

Complexity:	178
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	194.0359239
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	194.0359239
Rotatable Bond Count:	1
Topological Polar Surface Area:	56.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6