AG00DACG

445491-71-4 | 3-bromo-5-methanesulfonylpyridine

AG00DACG

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CAS Number	445491-71-4
Catalog Number	AG00DACG(AGN-PC-0RT0MK)
Chemical Name	3-bromo-5-methanesulfonylpyridine
IUPAC Name	3-bromo-5-methylsulfonylpyridine
InChI	InChI=1S/C6H6BrNO2S/c1-11(9,10)6-2-5(7)3-8-4-6/h2-4H,1H3
InChI Key	CNAIMMQZMLBREW-UHFFFAOYSA-N
MDL Number	MFCD09801057
Molecular Formula	C6H6BrNO2S
Molecular Weight	236.0863
SMILES	O=S(C1=CN=CC(Br)=C1)(C)=O
Synonyms	3-Bromo-5-(methylsulfonyl)pyridine, 445491-71-4, 3-bromo-5-methanesulfonylpyridine, 3-Bromo-5-(methylsulphonyl)pyridine, 5-BROMO-3-METHYLSULFONYLPYRIDINE, 3-Bromo-5-(methylsulphonyl)pyridine 98%, MFCD09801057, ACMC-209jyf, SCHEMBL853773, 3-Bromo-5-methylsulfonylpyridine, CTK4I8308, DTXSID20625390, CNAIMMQZMLBREW-UHFFFAOYSA-N, 3-Bromo-5(methylsulfonyl)pyridine, 3-bromo-5-methanesulfonyl-pyridine, KS-000019QW, 3-bromo-5-(methanesulfonyl)pyridine, ANW-30133, ZINC15021301, AKOS005258372, Pyridine,3-bromo-5-(methylsulfonyl)-, MB07697, PS-3472, RP05708, RTR-017116, Pyridine, 3-bromo-5-(methylsulfonyl)-, AJ-66926, AM803920, CJ-14987, DB-070574, TR-017116, CS-0036269, FT-0729061, Y9128, B-2634, I02-3111, J-511969, C6H6BrNO2S,

Complexity	221
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	234.93g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	236.083g/mol
Monoisotopic Mass	234.93g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	55.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

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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