Home Sulfos 3-cyano-5-fluorobenzene-1-sulfonyl chloride

3-cyano-5-fluorobenzene-1-sulfonyl chloride

CAS No.:
1261644-49-8
Catalog Number:
AG01BTI3
Molecular Formula:
C7H3ClFNO2S
Molecular Weight:
219.6206
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Product Description
Catalog Number:
AG01BTI3
Chemical Name:
3-cyano-5-fluorobenzene-1-sulfonyl chloride
CAS Number:
1261644-49-8
Molecular Formula:
C7H3ClFNO2S
Molecular Weight:
219.6206
MDL Number:
MFCD18394025
IUPAC Name:
3-cyano-5-fluorobenzenesulfonyl chloride
InChI:
InChI=1S/C7H3ClFNO2S/c8-13(11,12)7-2-5(4-10)1-6(9)3-7/h1-3H
InChI Key:
ZQEROTOETXELJU-UHFFFAOYSA-N
SMILES:
N#Cc1cc(F)cc(c1)S(=O)(=O)Cl
Properties
Complexity:
328  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.956g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.614g/mol
Monoisotopic Mass:
218.956g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties