AG007PDE

1208538-52-6 | 4-Bromo-2-(methylsulfonyl)pyrimidine

AG007PDE

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CAS Number	1208538-52-6
Catalog Number	AG007PDE(AGN-PC-07HAWU)
Chemical Name	4-Bromo-2-(methylsulfonyl)pyrimidine
IUPAC Name	4-bromo-2-methylsulfonylpyrimidine
InChI	InChI=1S/C5H5BrN2O2S/c1-11(9,10)5-7-3-2-4(6)8-5/h2-3H,1H3
InChI Key	YOTSMHQEKCYLQI-UHFFFAOYSA-N
MDL Number	MFCD12406118
Molecular Formula	C5H5BrN2O2S
Molecular Weight	237.0744
SMILES	BrC1=NC(=NC=C1)[S](=O)(=O)C
Synonyms	4-Bromo-2-(methylsulfonyl)pyrimidine, 1208538-52-6, 4-bromo-2-methanesulfonylpyrimidine, 4-Bromo-2-(methanesulfonyl)pyrimidine, SCHEMBL20606050, CTK4B2071, DTXSID00671971, ANW-51222, MFCD12406118, ZINC40448445, 2-(Methylsulfonyl)-4-bromopyrimidine, AKOS015835719, AS-30905, BR-28068, DA-16663, SC-53395, AB0035164, AJ-102732, ST2411159, TR-034470, 4CH-008133, FT-0696114, X9449, S-7167, C5H5BrN2O2S, ACN-051674,

Complexity	223
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	235.926g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	237.071g/mol
Monoisotopic Mass	235.926g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	68.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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