AG002FF5

19169-90-5 | Benzene, [(bromomethyl)sulfonyl]-

AG002FF5

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CAS Number	19169-90-5
Catalog Number	AG002FF5(AGN-PC-0JP1XR)
Chemical Name	Benzene, [(bromomethyl)sulfonyl]-
IUPAC Name	bromomethylsulfonylbenzene
InChI	InChI=1S/C7H7BrO2S/c8-6-11(9,10)7-4-2-1-3-5-7/h1-5H,6H2
InChI Key	SKIMEKUYIQHJQV-UHFFFAOYSA-N
MDL Number	MFCD00034033
Molecular Formula	C7H7BrO2S
Molecular Weight	235.0983
NSC Number	122669
SMILES	O=S(C1=CC=CC=C1)(CBr)=O
Synonyms	Bromomethyl phenyl sulfone, 19169-90-5, bromomethylphenylsulfone, NSC122669, bromomethylphenyl sulfone, bromomethylsulfonylbenzene, ACMC-1BQP7, (bromomethylsulfonyl)benzene, AC1Q6UO7, AC1L5I80, SCHEMBL1022429, CTK4E0769, Benzene,[(bromomethyl)sulfonyl]-, Bromomethyl phenyl sulfone, 98%, DTXSID60298360, Benzene, [(bromomethyl)sulfonyl]-, ZINC1712061, AKOS015889545, CS-W018369, FCH1319779, HCH0025647, NSC-122669, ACM19169905, CJ-29019, TC-167604, FT-0716528, C-45901, J-012391, I01-19742, ((bromomethyl)sulfonyl)benzene, AR-1I0802, CID275696, 19250-09-0,

Complexity	199
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	233.935g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	235.095g/mol
Monoisotopic Mass	233.935g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	42.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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