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3-(Chloromethyl)-4-ethyl-5-methyl-4H-1,2,4-triazole Hydrochloride

3-(Chloromethyl)-4-ethyl-5-methyl-4H-1,2,4-triazole Hydrochloride - CAS 1394041-77-0

Catalog:	BB008941
Product Name:	3-(Chloromethyl)-4-ethyl-5-methyl-4H-1,2,4-triazole Hydrochloride
CAS:	1394041-77-0
Synonyms:	3-(chloromethyl)-4-ethyl-5-methyl-1,2,4-triazole;hydrochloride; 3-(chloromethyl)-4-ethyl-5-methyl-1,2,4-triazole;hydrochloride

Technical Data

Computed Properties

IUPAC Name:	3-(chloromethyl)-4-ethyl-5-methyl-1,2,4-triazole;hydrochloride
Description:	3-(Chloromethyl)-4-ethyl-5-methyl-4H-1,2,4-triazole Hydrochloride (CAS# 1394041-77-0 ) is a useful research chemical.
Molecular Weight:	196.08
Molecular Formula:	C6H11Cl2N3
Canonical SMILES:	CCN1C(=NN=C1CCl)C.Cl
InChI:	InChI=1S/C6H10ClN3.ClH/c1-3-10-5(2)8-9-6(10)4-7;/h3-4H2,1-2H3;1H
InChI Key:	ITVRQYNFDDAJBK-UHFFFAOYSA-N

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Related Functional Groups

Triazole/Tetrazole

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5-(4-Methoxyphenyl)-2H-tetrazole
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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
[1243250-13-6]
Ethyl (3-bromo-1H-1,2,4-triazol-1-yl)acetate
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Ethyl 2-(5-bromo-1H-1,2,4-triazol-1-yl)butanoate

Complexity:	109
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	195.0330028
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	195.0330028
Rotatable Bond Count:	2
Topological Polar Surface Area:	30.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0