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Home > Fluorides > 914637-55-1
914637-55-1 | 2-(phenylsulphonyl)-5-(trifluoromethyl)benzoic acid
CAS No: 914637-55-1 Catalog No: AG01EZ1Z MDL No:
Product Description
Catalog Number:
AG01EZ1Z
Chemical Name:
2-(phenylsulphonyl)-5-(trifluoromethyl)benzoic acid
CAS Number:
914637-55-1
Molecular Formula:
C14H9F3O4S
Molecular Weight:
330.2791
IUPAC Name:
2-(benzenesulfonyl)-5-(trifluoromethyl)benzoic acid
InChI:
InChI=1S/C14H9F3O4S/c15-14(16,17)9-6-7-12(11(8-9)13(18)19)22(20,21)10-4-2-1-3-5-10/h1-8H,(H,18,19)
InChI Key:
KMPMAPHEKVRMEP-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(ccc1S(=O)(=O)c1ccccc1)C(F)(F)F
Properties
Complexity:
503
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.017g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
330.277g/mol
Monoisotopic Mass:
330.017g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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