AG009YQT

1346818-62-9 | 5-Iodo-1,4-dimethyl-1H-1,2,3-triazole

AG009YQT

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CAS Number	1346818-62-9
Catalog Number	AG009YQT
Chemical Name	5-Iodo-1,4-dimethyl-1H-1,2,3-triazole
IUPAC Name	5-iodo-1,4-dimethyltriazole
InChI	InChI=1S/C4H6IN3/c1-3-4(5)8(2)7-6-3/h1-2H3
InChI Key	BFFCUDCDYJFFAJ-UHFFFAOYSA-N
MDL Number	MFCD28962625
Molecular Formula	C4H6IN3
Molecular Weight	223.0150
SMILES	CC1N=NN(C)C=1I
Synonyms	5-iodo-1,4-diMethyl-1H-1,2,3-triazole, 1346818-62-9, SCHEMBL2589342, BFFCUDCDYJFFAJ-UHFFFAOYSA-N, MFCD28962625, ZINC169075936, AK00741469, 1H-1,2,3-Triazole,5-iodo-1,4-dimethyl-, cis-cyclohexane-1,3-diaminehydrochloride, 5-iodo-1,4-dimethyl-1H[1,2,3]triazole, 498532-32-4,

Complexity	87.4
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	222.961g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	223.017g/mol
Monoisotopic Mass	222.961g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	30.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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