AG002NQY

23579-79-5 | 1H-1,2,4-Triazole, 3,5-dibromo-1-methyl-

AG002NQY

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CAS Number	23579-79-5
Catalog Number	AG002NQY(AGN-PC-01CQCO)
Chemical Name	1H-1,2,4-Triazole, 3,5-dibromo-1-methyl-
IUPAC Name	3,5-dibromo-1-methyl-1,2,4-triazole
InChI	InChI=1S/C3H3Br2N3/c1-8-3(5)6-2(4)7-8/h1H3
InChI Key	OAPQSGTTZLYWJB-UHFFFAOYSA-N
MDL Number	MFCD09426402
Molecular Formula	C3H3Br2N3
Molecular Weight	240.8840
SMILES	Brc1n(C)nc(n1)Br
Synonyms	3,5-dibromo-1-methyl-1H-1,2,4-triazole, 23579-79-5, 3,5-dibromo-1-methyl-1,2,4-triazole, 1H-1,2,4-Triazole, 3,5-dibromo-1-methyl-, PubChem19683, C3H3Br2N3, SCHEMBL6915240, CTK5I9072, DTXSID90589379, OAPQSGTTZLYWJB-UHFFFAOYSA-N, ALBB-017645, ZINC9142806, 1599AB, ANW-60261, BBL019171, MFCD09426402, SBB054618, STK361423, AKOS003405694, MCULE-5170699968, KS-00000Q63, AJ-59370, AK101353, AS-10100, BC004463, SC-48737, AB0094197, TC-149006, 1-Methyl-3,5-dibromo-1H-1,2,4-triazole, 4CH-021598, CS-0061739, ST24041182, AP-853/43405354, ACN-040572, T0620,

Complexity	88.6
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	240.867g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	240.886g/mol
Monoisotopic Mass	238.869g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	30.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

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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