AG003K2R

1093878-42-2 | 4-(4-Bromophenyl)thiomorpholine 1,1-Dioxide

AG003K2R

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CAS Number	1093878-42-2
Catalog Number	AG003K2R(AGN-PC-07824A)
Chemical Name	4-(4-Bromophenyl)thiomorpholine 1,1-Dioxide
IUPAC Name	4-(4-bromophenyl)-1,4-thiazinane 1,1-dioxide
InChI	InChI=1S/C10H12BrNO2S/c11-9-1-3-10(4-2-9)12-5-7-15(13,14)8-6-12/h1-4H,5-8H2
InChI Key	YDNMNPHZKMEGDR-UHFFFAOYSA-N
MDL Number	MFCD08276281
Molecular Formula	C10H12BrNO2S
Molecular Weight	290.1768
SMILES	BrC1=CC=C(N2CCS(CC2)(=O)=O)C=C1
Synonyms	4-(4-Bromophenyl)thiomorpholine 1,1-Dioxide, 1093878-42-2, 4-(4-Bromo-phenyl)-thiomorpholine 1,1-dioxide, 4-(4-bromophenyl)-1,4-thiazinane 1,1-dioxide, ACMC-20992x, SCHEMBL1235260, CTK5I7505, DTXSID90659743, YDNMNPHZKMEGDR-UHFFFAOYSA-N, KS-000015MN, ANW-16039, MFCD08276281, ZINC44069164, AKOS017559206, CS-W014554, TRA0082787, 4-(1,1-Dioxothiomorpholino)phenyl Bromide, 4-(4-bromophenyl)thiomorpholine-1,1-dione, TC-104784, 4-(4-Bromophenyl)thiomorpholine1,1-Dioxide, B2614, 4-(4-bromophenyl)thiomorpholine-1,1-dioxide, 4-(4-bromophenyl)-1lambda-thiomorpholine-1,1-dione, 4-(4-Bromophenyl)-1lambda~6~,4-thiazinane-1,1-dione,

Complexity	290
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	1
Topological Polar Surface Area	45.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

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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