AG00GUC2

859940-73-1 | 1-BROMO-3-(METHYLSULFONYL)PROPANE

AG00GUC2

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CAS Number	859940-73-1
Catalog Number	AG00GUC2(AGN-PC-0WBPZQ)
Chemical Name	1-BROMO-3-(METHYLSULFONYL)PROPANE
IUPAC Name	1-bromo-3-methylsulfonylpropane
InChI	InChI=1S/C4H9BrO2S/c1-8(6,7)4-2-3-5/h2-4H2,1H3
InChI Key	BNECODFCHDCLDN-UHFFFAOYSA-N
MDL Number	MFCD12823573
Molecular Formula	C4H9BrO2S
Molecular Weight	201.0821
SMILES	O=S(CCCBr)(C)=O
Synonyms	1-bromo-3-methanesulfonylpropane, 859940-73-1, 1-bromo-3-(methylsulfonyl)propane, 1-Bromo-3-methanesulfonyl-propane, C4H9BrO2S, 3-bromopropyl methyl sulfone, SCHEMBL1118598, 1-bromo-3-methanesulfonyl propane, BNECODFCHDCLDN-UHFFFAOYSA-N, MFCD12823573, ZINC38063441, AKOS010251466, NE23016, Propane, 1-bromo-3-(methylsulfonyl)-, SB17656, BS-12936, FT-0738173, Y1951, EN300-73984, A1-02634, J-504427, F8881-7268, 1-bromo-3-methylsulfonylpropane,

Complexity	133
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	199.951g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	201.078g/mol
Monoisotopic Mass	199.951g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	42.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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