2-Bromobenzenesulfonyl fluoride

CAT: 0127-PC1003932-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-PC1003932-01Size:1 g

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CAS Number

1373232-47-3

MDL Number

MFCD22192499

Purity

95%

Smiles

O=S(C1=CC=CC=C1Br)(F)=O

Chemical Information

2-Bromobenzenesulfonyl fluoride

CAS Number	1373232-47-3
PubChem CID	75537242
IUPAC Name	2-bromobenzenesulfonyl fluoride
Molecular Formula	C6H4BrFO2S
Molecular Weight	239.06
XLogP	2.4
Topological Polar Surface Area	42.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	221

SMILES

C1=CC=C(C(=C1)S(=O)(=O)F)Br

InChI

InChI=1S/C6H4BrFO2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H

InChIKey

CVLBPNVZAWKPFN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1373232-47-3

CID: 75537242

Formula: C6H4BrFO2S

MW: 239.06

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	239.06
XLogP3	2.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	237.90994
Monoisotopic Mass	237.90994
Topological Polar Surface Area	42.5 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	221
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
PC520754-01	3-Bromobenzenesulfonyl fluoride
PC900114-01	4-Bromobenzenesulfonyl fluoride
OR1003769-01	4-Bromobenzenesulfonyl isocyanate
PC510011-01	2-Fluorobenzenesulfonyl Fluoride
PC57055	2-Nitrobenzal fluoride
PC107092	2-Methylbenzoyl fluoride
PC01660-01	2-Bromobenzal fluoride
PC01530	2-Nitrobenzenesulphonyl fluoride
PC4725-01	2-Chlorotetrafluoropropanoyl fluoride
PC56790-01	2-Bromobenzyl fluoride

Catalog	Name
YEC23247	2-Bromobenzenesulfonyl fluoride
424628-01	3-Bromobenzenesulfonyl fluoride
431230-01	4-Bromobenzenesulfonyl fluoride
419134-01	2-Pyridinesulfonyl Fluoride
AAA43398-01	2-Nitrobenzenesulphonyl fluoride
CCA20099	2-Fluorobenzenesulfonyl Fluoride
AAA44647-01	2-Bromobenzyl fluoride
418544-01	2-Methanesulfonylbenzenesulfonyl fluoride
417166-01	2-Chloroethanesulfonyl fluoride
291439-01	2,2,2-Trifluoroacetyl fluoride