Home Sulfos 4-(chlorosulfonyl)-3-fluorobenzoic acid

4-(chlorosulfonyl)-3-fluorobenzoic acid

CAS No.:
244606-33-5
Catalog Number:
AG00IL2Z
Molecular Formula:
C7H4ClFO4S
Molecular Weight:
238.6207
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Product Description
Catalog Number:
AG00IL2Z
Chemical Name:
4-(chlorosulfonyl)-3-fluorobenzoic acid
CAS Number:
244606-33-5
Molecular Formula:
C7H4ClFO4S
Molecular Weight:
238.6207
MDL Number:
MFCD19201165
IUPAC Name:
4-chlorosulfonyl-3-fluorobenzoic acid
InChI:
InChI=1S/C7H4ClFO4S/c8-14(12,13)6-2-1-4(7(10)11)3-5(6)9/h1-3H,(H,10,11)
InChI Key:
BFEPIUXQMZTCQM-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1)F)S(=O)(=O)Cl
Properties
Complexity:
323  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.95g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
238.613g/mol
Monoisotopic Mass:
237.95g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties