AG0053V9

79091-24-0 | 5-BROMO-4-CHLORO-2-METHANESULFONYL-PYRIMIDINE

AG0053V9

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CAS Number	79091-24-0
Catalog Number	AG0053V9(AGN-PC-0JOFHQ)
Chemical Name	5-BROMO-4-CHLORO-2-METHANESULFONYL-PYRIMIDINE
IUPAC Name	5-bromo-4-chloro-2-methylsulfonylpyrimidine
InChI	InChI=1S/C5H4BrClN2O2S/c1-12(10,11)5-8-2-3(6)4(7)9-5/h2H,1H3
InChI Key	FATRNESSGITUQV-UHFFFAOYSA-N
MDL Number	MFCD11046327
Molecular Formula	C5H4BrClN2O2S
Molecular Weight	271.5195
NSC Number	46963
SMILES	CS(=O)(=O)C1=NC=C(Br)C(Cl)=N1
Synonyms	5-BROMO-4-CHLORO-2-(METHYLSULFONYL)PYRIMIDINE, 79091-24-0, 5-BROMO-4-CHLORO-2-METHANESULFONYL-PYRIMIDINE, 5-Bromo-4-chloro-2-methylsulfonylpyrimidine, NSC46963, C5H4BrClN2O2S, AC1Q4GKX, AC1L65GX, SCHEMBL9626944, CTK5E6440, DTXSID60286661, ZINC1678978, ANW-59569, MFCD11046327, NSC-46963, TD8108, AKOS016003804, FCH1401961, RP29647, AC-28080, AJ-29560, AK-48508, AS-54713, HC210533, AB0088417, AX8212146, TC-148314, 4CH-021646, 5-Bromo-4-chloro-2-methylsulphonylpyrimidine, CS-0045877, FT-0083124, FT-0651295, ST24044484, Z2956, Pyrimidine,5-bromo-4-chloro-2-(methylsulfonyl)-, J-517077, CID240566, ACN-051857, 5-BROMO-4-CHLORO-2-METHANESULFONYLPYRIMIDINE,

Complexity	253
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	269.887g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	271.513g/mol
Monoisotopic Mass	269.887g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	68.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number