AG00AM09

16681-67-7 | 4-Bromo-2-methyl-2H-1,2,3-triazole

AG00AM09

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CAS Number	16681-67-7
Catalog Number	AG00AM09(AGN-PC-0WG3XH)
Chemical Name	4-Bromo-2-methyl-2H-1,2,3-triazole
IUPAC Name	4-bromo-2-methyltriazole
InChI	InChI=1S/C3H4BrN3/c1-7-5-2-3(4)6-7/h2H,1H3
InChI Key	OEFNDZLVSBSRMG-UHFFFAOYSA-N
MDL Number	MFCD23378485
Molecular Formula	C3H4BrN3
Molecular Weight	161.9880
SMILES	Brc1nn(nc1)C
Synonyms	4-BROMO-2-METHYL-2H-1,2,3-TRIAZOLE, 16681-67-7, 4-bromo-2-methyltriazole, SCHEMBL12852954, DTXSID30617802, OEFNDZLVSBSRMG-UHFFFAOYSA-N, 8494AA, MFCD23378485, ZINC84308168, AKOS016842629, CM10510, AK134802, AM806313, AS-39822, DA-43568, SC-88391, AJ-126243, CS-0035798, FT-0759580, ST24043401, C3H4BrN3, 1081522-65-7,

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	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H332-H335
Packing Group	\N
Precautionary statements	P261-P280-P305+P351+P338
UN Code	\N

Certificate of Analysis

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