AG00AT3K

16681-82-6 | 1H-1,2,3-Triazole, 5-bromo-1-methyl-

AG00AT3K

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CAS Number	16681-82-6
Catalog Number	AG00AT3K(AGN-PC-0N93RA)
Chemical Name	1H-1,2,3-Triazole, 5-bromo-1-methyl-
IUPAC Name	5-bromo-1-methyltriazole
InChI	InChI=1S/C3H4BrN3/c1-7-3(4)2-5-6-7/h2H,1H3
InChI Key	ZTGUHAUTOFRQDE-UHFFFAOYSA-N
MDL Number	MFCD13190021
Molecular Formula	C3H4BrN3
Molecular Weight	161.9880
SMILES	BrC1=CN=NN1C
Synonyms	5-BROMO-1-METHYL-1H-1,2,3-TRIAZOLE, 16681-82-6, SCHEMBL11723650, ZTGUHAUTOFRQDE-UHFFFAOYSA-N, MFCD13190021, ZINC39184770, AKOS024052067, AB69597, NE15696, 1-Methyl-5-bromo-1H-1,2,3-triazole, BS-12782, 1H-1,2,3-Triazole, 5-bromo-1-methyl-, X3508, C3H4BrN3, 5-bromo-1-methyl-triazole, CID10702131,

Complexity	67.2
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	160.959g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	161.99g/mol
Monoisotopic Mass	160.959g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	30.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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