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

3-(Chloromethyl)-5-isopropyl-4-methyl-4H-1,2,4-triazole Hydrochloride - CAS 1432681-31-6

Catalog:	BB009537
Product Name:	3-(Chloromethyl)-5-isopropyl-4-methyl-4H-1,2,4-triazole Hydrochloride
CAS:	1432681-31-6
Synonyms:	3-(chloromethyl)-4-methyl-5-propan-2-yl-1,2,4-triazole;hydrochloride; 3-(chloromethyl)-4-methyl-5-propan-2-yl-1,2,4-triazole;hydrochloride

Technical Data

Computed Properties

IUPAC Name:	3-(chloromethyl)-4-methyl-5-propan-2-yl-1,2,4-triazole;hydrochloride
Description:	3-(Chloromethyl)-5-isopropyl-4-methyl-4H-1,2,4-triazole Hydrochloride (CAS# 1432681-31-6 ) is a useful research chemical.
Molecular Weight:	210.10
Molecular Formula:	C7H13Cl2N3
Canonical SMILES:	CC(C)C1=NN=C(N1C)CCl.Cl
InChI:	InChI=1S/C7H12ClN3.ClH/c1-5(2)7-10-9-6(4-8)11(7)3;/h5H,4H2,1-3H3;1H
InChI Key:	JEFYUBFAMVXLCM-UHFFFAOYSA-N

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Related Functional Groups

Triazole/Tetrazole

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Complexity:	129
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	209.0486528
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	209.0486528
Rotatable Bond Count:	2
Topological Polar Surface Area:	30.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0