AG000J87

1227384-81-7 | Pyridine, 2-bromo-5-(ethylsulfonyl)-

AG000J87

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CAS Number	1227384-81-7
Catalog Number	AG000J87(AGN-PC-09SGBH)
Chemical Name	Pyridine, 2-bromo-5-(ethylsulfonyl)-
IUPAC Name	2-bromo-5-ethylsulfonylpyridine
InChI	InChI=1S/C7H8BrNO2S/c1-2-12(10,11)6-3-4-7(8)9-5-6/h3-5H,2H2,1H3
InChI Key	REPDUUQBPOVVLB-UHFFFAOYSA-N
MDL Number	MFCD18375247
Molecular Formula	C7H8BrNO2S
Molecular Weight	250.1129
SMILES	O=S(C1=CN=C(Br)C=C1)(CC)=O
Synonyms	2-Bromo-5-(ethylsulfonyl)pyridine, 1227384-81-7, SCHEMBL2173113, 2-bromo-5-ethylsulfonylpyridine, KS-00000DTF, 2-bromo-5-ethanesulfonyl-pyridine, REPDUUQBPOVVLB-UHFFFAOYSA-N, MFCD18375247, ZINC90475813, AKOS015892037, FCH1367627, Pyridine, 2-bromo-5-(ethylsulfonyl)-, TRA-0206965, CS-11203, SY009025, AJ-128811, AX8268813, DB-021036, TC-307043, FT-0718564, Z8654, Z-4083, MFCD18375247 (97+%), I02-3054, C7H8BrNO2S, 755752-82-0,

Complexity	234
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	248.946g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	250.11g/mol
Monoisotopic Mass	248.946g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	55.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

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

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