AG00AC28

17117-19-0 | 3-Bromo-2,5-lutidine

AG00AC28

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CAS Number	17117-19-0
Catalog Number	AG00AC28(AGN-PC-0002WU)
Chemical Name	3-Bromo-2,5-lutidine
IUPAC Name	3-bromo-2,5-dimethylpyridine
InChI	InChI=1S/C7H8BrN/c1-5-3-7(8)6(2)9-4-5/h3-4H,1-2H3
InChI Key	WQLGCLUHWCNWCG-UHFFFAOYSA-N
MDL Number	MFCD00234306
Molecular Formula	C7H8BrN
Molecular Weight	186.0491
SMILES	Brc1c(C)ncc(c1)C
Synonyms	3-Bromo-2,5-dimethylpyridine, 17117-19-0, 3-Bromo-2,5-lutidine, SCHEMBL1126105, CTK4D3836, DTXSID00554058, Pyridine,3-bromo-2,5-dimethyl-, 3-bromanyl-2,5-dimethyl-pyridine, Pyridine, 3-bromo-2,5-dimethyl-, 5296AH, BBL103285, MFCD00234306, STL557095, ZINC14982239, AKOS006274973, AB05199, GS-5990, KS-0000266L, AJ-65605, QC-11112, DB-081804, CS-0054162, FT-0645918, A811295, I02-0725, C7H8BrN,

Complexity	94.9
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	184.984g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	186.052g/mol
Monoisotopic Mass	184.984g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	12.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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