Home Sulfos 3-(bromomethyl)benzene-1-sulfonyl fluoride

3-(bromomethyl)benzene-1-sulfonyl fluoride

CAS No.:
79686-36-5
Catalog Number:
AG01EIXC
Molecular Formula:
C7H6BrFO2S
Molecular Weight:
253.0887
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Product Description
Catalog Number:
AG01EIXC
Chemical Name:
3-(bromomethyl)benzene-1-sulfonyl fluoride
CAS Number:
79686-36-5
Molecular Formula:
C7H6BrFO2S
Molecular Weight:
253.0887
IUPAC Name:
3-(bromomethyl)benzenesulfonyl fluoride
InChI:
InChI=1S/C7H6BrFO2S/c8-5-6-2-1-3-7(4-6)12(9,10)11/h1-4H,5H2
InChI Key:
IANRVXMUYOCEIY-UHFFFAOYSA-N
SMILES:
BrCc1cccc(c1)S(=O)(=O)F
Properties
Complexity:
234  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.926g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.085g/mol
Monoisotopic Mass:
251.926g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties