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Home > Fluorides > 125629-20-1
125629-20-1 | 1,2-Benzenediol, 3,5-bis[(trifluoromethyl)sulfonyl]-
CAS No: 125629-20-1 Catalog No: AG000NZK MDL No:
Product Description
Catalog Number:
AG000NZK
Chemical Name:
1,2-Benzenediol, 3,5-bis[(trifluoromethyl)sulfonyl]-
CAS Number:
125629-20-1
Molecular Formula:
C8H4F6O6S2
Molecular Weight:
374.2342
IUPAC Name:
3,5-bis(trifluoromethylsulfonyl)benzene-1,2-diol
InChI:
InChI=1S/C8H4F6O6S2/c9-7(10,11)21(17,18)3-1-4(15)6(16)5(2-3)22(19,20)8(12,13)14/h1-2,15-16H
InChI Key:
LLVHQTRLLOAMAQ-UHFFFAOYSA-N
SMILES:
Oc1cc(cc(c1O)S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F
Properties
Complexity:
610
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
373.935g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
374.224g/mol
Monoisotopic Mass:
373.935g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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