AG001W03

16523-02-7 | 2-Bromoetyl-methylsulfone

AG001W03

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CAS Number	16523-02-7
Catalog Number	AG001W03(AGN-PC-00NPYG)
Chemical Name	2-Bromoetyl-methylsulfone
IUPAC Name	1-bromo-2-methylsulfonylethane
InChI	InChI=1S/C3H7BrO2S/c1-7(5,6)3-2-4/h2-3H2,1H3
InChI Key	NIEGKADUBXVLHF-UHFFFAOYSA-N
MDL Number	MFCD08274926
Molecular Formula	C3H7BrO2S
Molecular Weight	187.0555
SMILES	O=S(CCBr)(C)=O
Synonyms	16523-02-7, 2-Bromoethyl Methyl Sulfone, 1-bromo-2-(methylsulfonyl)ethane, 2-BROMOETYL-METHYLSULFONE, Ethane, 1-bromo-2-(methylsulfonyl)-, 2-BromoethylMethylSulfone, C3H7BrO2S, SCHEMBL164582, 1-bromo-2-methylsulfonylethane, 1-bromo-2-methanesulfonylethane, NIEGKADUBXVLHF-UHFFFAOYSA-N, 1-bromo-2-(methylsulphonyl)ethane, 5490AJ, MFCD08274926, ZINC34134087, AKOS013333948, TRA0051331, KS-00000D42, CJ-18200, CS-11428, SY020452, TC-307051, MFCD08274926 (95%), K-5145, ACN-051525, 65169-38-2,

Complexity	120
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	185.935g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	187.051g/mol
Monoisotopic Mass	185.935g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	42.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H315-H318-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338
UN Code	UN 1760

Certificate of Analysis

Lot Number