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2-Bromo-1-fluoro-4-(methylsulfonyl)benzene

2-Bromo-1-fluoro-4-(methylsulfonyl)benzene - CAS 959961-65-0

Catalog:	BB041930
Product Name:	2-Bromo-1-fluoro-4-(methylsulfonyl)benzene
CAS:	959961-65-0
Synonyms:	2-bromo-1-fluoro-4-methylsulfonylbenzene; 2-bromo-1-fluoro-4-methylsulfonylbenzene

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-bromo-1-fluoro-4-methylsulfonylbenzene
Description:	2-Bromo-1-fluoro-4-(methylsulfonyl)benzene (CAS# 959961-65-0) is a useful research chemical.
Molecular Weight:	253.09
Molecular Formula:	C7H6BrFO2S
Canonical SMILES:	CS(=O)(=O)C1=CC(=C(C=C1)F)Br
InChI:	InChI=1S/C7H6BrFO2S/c1-12(10,11)5-2-3-7(9)6(8)4-5/h2-4H,1H3
InChI Key:	LVCOOUAQCQKOJG-UHFFFAOYSA-N
LogP:	3.07250

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Related Functional Groups

Sulfur Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[1866059-82-6]
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[104496-91-5]
2-(Pyridin-2-ylthio)acetohydrazide
[162894-76-0]
2-Hydroxyethane-1-sulfonamide
[1005626-64-1]
3-(1,3-Dimethylpyrazol-4-yl)-5-[(1-methylpyrazol-4-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
[832739-83-0]
3-[(4-Chlorophenyl)sulfonyl]-5-methoxyaniline

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	247
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	251.92559
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	251.92559
Rotatable Bond Count:	1
Topological Polar Surface Area:	42.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2