AG00AKA2

16681-72-4 | 5-bromo-1-methyl-1,2,4-triazole

AG00AKA2

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CAS Number	16681-72-4
Catalog Number	AG00AKA2(AGN-PC-03GNH3)
Chemical Name	5-bromo-1-methyl-1,2,4-triazole
IUPAC Name	5-bromo-1-methyl-1,2,4-triazole
InChI	InChI=1S/C3H4BrN3/c1-7-3(4)5-2-6-7/h2H,1H3
InChI Key	ZYLIOXAULQKGII-UHFFFAOYSA-N
MDL Number	MFCD11109756
Molecular Formula	C3H4BrN3
Molecular Weight	161.9880
SMILES	CN1N=CN=C1Br
Synonyms	16681-72-4, 5-BROMO-1-METHYL-1H-1,2,4-TRIAZOLE, 5-bromo-1-methyl-1,2,4-triazole, 1H-1,2,4-Triazole, 5-bromo-1-methyl-, 1H-1,2,4-Triazole,5-bromo-1-methyl-, 5-Bromo-1-methyl-1H-[1,2,4]triazole, ACMC-209dv4, AC1L3GA1, KSC496M7D, SCHEMBL545675, CTK3J6671, KS-00000FBA, DTXSID40168193, ZYLIOXAULQKGII-UHFFFAOYSA-N, ALBB-018260, EBD32515, ZINC6072287, 1-Methyl-5-bromo-1,2,4-triazole, ANW-22238, BBL104365, MFCD11109756, STL415245, WT1484, 5-bromanyl-1-methyl-1,2,4-triazole, AKOS006308182, CS-W001224, GS-4474, MCULE-6069727899, QC-4143, RP22458, AC-22983, AJ-55655, AK-49045, AM807169, BR-49045, CJ-12881, SY021471, AB0022707, RT-003183, 4CH-006753, ST24029335, W3627, MFCD11109756 (95%), S-3830, A810776, H112748, 5-Bromo-1-methyl-1H-1,2,4-triazole, AldrichCPR, J-516811, 16681-72-4 5-bromo-1-methyl-1H-1,2,4-triazole, C3H4BrN3, CID140121,

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	1

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302
Precautionary statements
Signal Words	warning

Certificate of Analysis

Lot Number