AG006PAF

941717-06-2 | 4-([2-(Bromomethyl)phenyl]sulfonyl)morpholine

AG006PAF

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CAS Number	941717-06-2
Catalog Number	AG006PAF(AGN-PC-04G0RU)
Chemical Name	4-([2-(Bromomethyl)phenyl]sulfonyl)morpholine
IUPAC Name	4-[2-(bromomethyl)phenyl]sulfonylmorpholine
InChI	InChI=1S/C11H14BrNO3S/c12-9-10-3-1-2-4-11(10)17(14,15)13-5-7-16-8-6-13/h1-4H,5-9H2
InChI Key	VRRKTYLWVKMVJU-UHFFFAOYSA-N
MDL Number	MFCD09879984
Molecular Formula	C11H14BrNO3S
Molecular Weight	320.2028
SMILES	O=S(N1CCOCC1)(C2=CC=CC=C2CBr)=O
Synonyms	941717-06-2, 4-((2-(Bromomethyl)phenyl)sulfonyl)morpholine, 4-{[2-(BROMOMETHYL)PHENYL]SULFONYL}MORPHOLINE, 2-[(Morpholin-4-yl)sulphonyl]benzyl bromide, AK123079, 4-{[2-(Bromomethyl)phenyl]sulphonyl}morpholine, 4-([2-(Bromomethyl)phenyl]sulfonyl)morpholine, SCHEMBL8511217, CTK5H5579, DTXSID90640474, ZX-AT000461, 6063AC, MFCD09879984, ZINC12370846, AKOS016012365, OR14926, PS-9868, KS-00000R61, AJ-61887, 4-[2-(bromomethyl)phenyl]sulfonylmorpholine, AX8247257, DB-079812, RT-009955, ST2417925, 2-[(Morpholin-4-yl)sulfonyl]benzyl bromide, 4-[2-(bromomethyl)benzenesulfonyl]morpholine, 4CH-016122, FT-0734645, 4-[2-(Bromomethyl)benzene-1-sulfonyl]morpholine, C11H14BrNO3S, 4-{[2- phenyl]sulphonyl}morpholine,

Complexity	335
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	318.988g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	320.201g/mol
Monoisotopic Mass	318.988g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	55A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H317-H319
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 3261

Certificate of Analysis

Lot Number