AG007AKD

111454-68-3 | 5-Bromo-2,3-dimethylpyrazine

AG007AKD

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CAS Number	111454-68-3
Catalog Number	AG007AKD(AGN-PC-09RTRI)
Chemical Name	5-Bromo-2,3-dimethylpyrazine
IUPAC Name	5-bromo-2,3-dimethylpyrazine
InChI	InChI=1S/C6H7BrN2/c1-4-5(2)9-6(7)3-8-4/h3H,1-2H3
InChI Key	LACACUPDGFABKK-UHFFFAOYSA-N
MDL Number	MFCD12404946
Molecular Formula	C6H7BrN2
Molecular Weight	187.0372
SMILES	CC1=C(C)N=C(Br)C=N1
Synonyms	5-Bromo-2,3-dimethylpyrazine, 111454-68-3, Pyrazine, 5-bromo-2,3-dimethyl-, SCHEMBL11985907, CTK8C3525, DTXSID00696442, 2066AA, ANW-70207, MFCD12404946, ZINC40571350, AKOS016002784, DS-3534, AK100474, AJ-103695, TC-158952, CS-0061385, ST24023884, C6H7BrN2,

Complexity	97.1
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	185.979g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	187.04g/mol
Monoisotopic Mass	185.979g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	25.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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