AG0011SA

136350-52-2 | 1-(4-Bromophenylsulfonyl)pyrrolidine

AG0011SA

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CAS Number	136350-52-2
Catalog Number	AG0011SA(AGN-PC-0JVPHP)
Chemical Name	1-(4-Bromophenylsulfonyl)pyrrolidine
IUPAC Name	1-(4-bromophenyl)sulfonylpyrrolidine
InChI	InChI=1S/C10H12BrNO2S/c11-9-3-5-10(6-4-9)15(13,14)12-7-1-2-8-12/h3-6H,1-2,7-8H2
InChI Key	JMOJWOSNSJXQMT-UHFFFAOYSA-N
MDL Number	MFCD00584577
Molecular Formula	C10H12BrNO2S
Molecular Weight	290.1768
SMILES	O=S(N1CCCC1)(C2=CC=C(Br)C=C2)=O
Synonyms	136350-52-2, 1-((4-Bromophenyl)sulfonyl)pyrrolidine, 1-(4-Bromophenylsulfonyl)pyrrolidine, 4-Bromo-N-pyrrolidin-1-ylbenzenesulphonamide, 1-(4-bromobenzenesulfonyl)pyrrolidine, 1-[(4-bromophenyl)sulfonyl]pyrrolidine, 1-(4-Bromo-benzenesulfonyl)-pyrrolidine, Pyrrolidine, 1-[(4-bromophenyl)sulfonyl]-, 1-(4-bromophenyl)sulfonylpyrrolidine, AC1LEMZG, BAS 01402074, ACMC-209c5q, Oprea1_078148, Oprea1_390321, MLS001211907, SCHEMBL2112295, CHEMBL1481314, CTK4C0263, KS-00002AFL, (4-Bromophenyl)pyrrolizinosulfone, DTXSID50353371, JMOJWOSNSJXQMT-UHFFFAOYSA-N, HMS2828F22, ZINC172255, (4-bromobenzenesulfonyl)pyrrolidine, ANW-20028, MFCD00584577, STL259083, AKOS000383603, AB06493, AM86561, MCULE-5888136470, PS-5478, 4-bromo-1-(pyrrolidinylsulfonyl)benzene, 1-[(4-Bromophenyl)sulfonyl]-pyrrolidine, 1-(4-Bromobenzene-1-sulfonyl)pyrrolidine, AJ-17567, SMR000516780, ST066598, Pyrrolidine,1-[(4-bromophenyl)sulfonyl]-, TC-108773, TR-004868, V2537, B-3742, I11-670, SR-01000460907, SR-01000460907-1, C10H12BrNO2S, 1-(4-Bromophenylsulfonyl)-1H-pyrrole, CID738618, 16851-84-6,

Complexity	298
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	288.977g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	290.175g/mol
Monoisotopic Mass	288.977g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	45.8A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

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

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