AG002ZRS

30321-94-9 | 4-Pyrimidinecarboxylic acid, 5-bromo-2-(methylsulfonyl)-

AG002ZRS

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CAS Number	30321-94-9
Catalog Number	AG002ZRS(AGN-PC-0LJAYV)
Chemical Name	4-Pyrimidinecarboxylic acid, 5-bromo-2-(methylsulfonyl)-
IUPAC Name	5-bromo-2-methylsulfonylpyrimidine-4-carboxylic acid
InChI	InChI=1S/C6H5BrN2O4S/c1-14(12,13)6-8-2-3(7)4(9-6)5(10)11/h2H,1H3,(H,10,11)
InChI Key	UEYGRSDYBWXDKJ-UHFFFAOYSA-N
MDL Number	MFCD06742786
Molecular Formula	C6H5BrN2O4S
Molecular Weight	281.0839
SMILES	C[S](=O)(=O)C1=NC=C(C(=N1)C(=O)O)Br
Synonyms	30321-94-9, 2-Methylsulfonyl-5-bromopyrimidine-4-carboxylic acid, 5-bromo-2-(methylsulfonyl)pyrimidine-4-carboxylic acid, 5-bromo-2-(methylsulfonyl)-4-pyrimidinecarboxylic acid, 5-bromo-2-methanesulfonylpyrimidine-4-carboxylic acid, 5-Bromo-2-methanesulfonyl-pyrimidine-4-carboxylic acid, AC1NKHE0, C6H5BrN2O4S, SCHEMBL18528954, CTK1C0707, KS-00000HLV, DTXSID40406769, ZINC4228192, ANW-51638, MFCD06742786, IFLAB-BB F2124-0044, AKOS000320062, CS-W003337, DD-0742, MCULE-2507171188, RP15489, bromomethylsulfonylpyrimidinecarboxylicacid, AJ-49167, AK-24098, BR-24098, SY007066, AB0024078, DB-068270, ST2411764, TR-013040, 4CH-008348, FT-0648530, W5273, MFCD06742786 (95%), S-6226, 5-bromo-2-methylsulfonylpyrimidine-4-carboxylic acid, J-516844, 2-(Methylsulfonyl)-5-bromopyrimidine-4-carboxylic acid, 4-Pyrimidinecarboxylicacid, 5-bromo-2-(methylsulfonyl)-, 5-Bromo-2-(methanesulfonyl)pyrimidine-4-carboxylic acid, F2124-0044, 4-Pyrimidinecarboxylic acid, 5-bromo-2-(methylsulfonyl)-, 5-Bromo-2-(methylsulfonyl)pyrimidine-4-carboxylic aicd, AldrichCPR, CID4913384, 5-bromo-2-methylsulfonyl-pyrimidine-4-carboxylic Acid,

Complexity	325
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	279.915g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	281.08g/mol
Monoisotopic Mass	279.915g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	106A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.3

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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