Home Sulfos 5-(chlorosulfonyl)-3-fluoro-2-methylbenzoic acid

5-(chlorosulfonyl)-3-fluoro-2-methylbenzoic acid

CAS No.:
1909326-68-6
Catalog Number:
AG01C439
Molecular Formula:
C8H6ClFO4S
Molecular Weight:
252.6472
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Product Description
Catalog Number:
AG01C439
Chemical Name:
5-(chlorosulfonyl)-3-fluoro-2-methylbenzoic acid
CAS Number:
1909326-68-6
Molecular Formula:
C8H6ClFO4S
Molecular Weight:
252.6472
MDL Number:
MFCD29762991
IUPAC Name:
5-chlorosulfonyl-3-fluoro-2-methylbenzoic acid
InChI:
InChI=1S/C8H6ClFO4S/c1-4-6(8(11)12)2-5(3-7(4)10)15(9,13)14/h2-3H,1H3,(H,11,12)
InChI Key:
ALDGQGJEEIQSFI-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(cc(c1C)F)S(=O)(=O)Cl
Properties
Complexity:
350  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.966g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
252.64g/mol
Monoisotopic Mass:
251.966g/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