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Home > Fluorides > 130875-42-2
130875-42-2 | Naphthalene, 1-[bis[(trifluoromethyl)sulfonyl]methyl]-
CAS No: 130875-42-2 Catalog No: AG000V1J MDL No:
Product Description
Catalog Number:
AG000V1J
Chemical Name:
Naphthalene, 1-[bis[(trifluoromethyl)sulfonyl]methyl]-
CAS Number:
130875-42-2
Molecular Formula:
C13H8F6O4S2
Molecular Weight:
406.3206
IUPAC Name:
1-[bis(trifluoromethylsulfonyl)methyl]naphthalene
InChI:
InChI=1S/C13H8F6O4S2/c14-12(15,16)24(20,21)11(25(22,23)13(17,18)19)10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H
InChI Key:
BZQAOASUJNTSGD-UHFFFAOYSA-N
SMILES:
O=S(=O)(C(F)(F)F)C(S(=O)(=O)C(F)(F)F)c1cccc2c1cccc2
Properties
Complexity:
640
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
405.977g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
406.313g/mol
Monoisotopic Mass:
405.977g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
85A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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