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6972-44-7 | 5-FLUOROSULFONYL-ISOPHTHALIC ACID
CAS No: 6972-44-7 Catalog No: AG00FQM1 MDL No:MFCD00024851
Product Description
Catalog Number:
AG00FQM1
Chemical Name:
5-FLUOROSULFONYL-ISOPHTHALIC ACID
CAS Number:
6972-44-7
Molecular Formula:
C8H5FO6S
Molecular Weight:
248.1851
MDL Number:
MFCD00024851
IUPAC Name:
5-fluorosulfonylbenzene-1,3-dicarboxylic acid
InChI:
InChI=1S/C8H5FO6S/c9-16(14,15)6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3H,(H,10,11)(H,12,13)
InChI Key:
NVKOTYRAFOFHGL-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(cc(c1)S(=O)(=O)F)C(=O)O
NSC Number:
61994
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.979g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
248.18g/mol
Monoisotopic Mass:
247.979g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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