Home Sulfos 3-cyanobenzene-1-sulfonyl fluoride

3-cyanobenzene-1-sulfonyl fluoride

CAS No.:
402-27-7
Catalog Number:
AG01C3ZT
Molecular Formula:
C7H4FNO2S
Molecular Weight:
185.1756
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Product Description
Catalog Number:
AG01C3ZT
Chemical Name:
3-cyanobenzene-1-sulfonyl fluoride
CAS Number:
402-27-7
Molecular Formula:
C7H4FNO2S
Molecular Weight:
185.1756
MDL Number:
MFCD27950415
IUPAC Name:
3-cyanobenzenesulfonyl fluoride
InChI:
InChI=1S/C7H4FNO2S/c8-12(10,11)7-3-1-2-6(4-7)5-9/h1-4H
InChI Key:
XHDHNTIGKYTAGT-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)S(=O)(=O)F
Properties
Complexity:
297  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.995g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.172g/mol
Monoisotopic Mass:
184.995g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties