Home Sulfos Benzoicacid, 3-chloro-4-(fluorosulfonyl)-

Benzoicacid, 3-chloro-4-(fluorosulfonyl)-

CAS No.:
33866-05-6
Catalog Number:
AG007IMR
Molecular Formula:
C7H4ClFO4S
Molecular Weight:
238.6207
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG007IMR
Chemical Name:
Benzoicacid, 3-chloro-4-(fluorosulfonyl)-
CAS Number:
33866-05-6
Molecular Formula:
C7H4ClFO4S
Molecular Weight:
238.6207
MDL Number:
MFCD28968669
IUPAC Name:
3-chloro-4-fluorosulfonylbenzoic acid
InChI:
InChI=1S/C7H4ClFO4S/c8-5-3-4(7(10)11)1-2-6(5)14(9,12)13/h1-3H,(H,10,11)
InChI Key:
JGXQPRQNKIOTQF-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1)Cl)S(=O)(=O)F
NSC Number:
210249
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:
1.9  
Properties