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Home > Fluorides > 1233512-95-2
1233512-95-2 | 2,5-Bis(trifluoromethyl)benzenesulfinic acid sodium salt
CAS No: 1233512-95-2 Catalog No: AG01F7FV MDL No:
Product Description
Catalog Number:
AG01F7FV
Chemical Name:
2,5-Bis(trifluoromethyl)benzenesulfinic acid sodium salt
CAS Number:
1233512-95-2
Molecular Formula:
C8H3F6NaO2S
Molecular Weight:
300.1534
IUPAC Name:
sodium;2,5-bis(trifluoromethyl)benzenesulfinate
InChI:
InChI=1S/C8H4F6O2S.Na/c9-7(10,11)4-1-2-5(8(12,13)14)6(3-4)17(15)16;/h1-3H,(H,15,16);/q;+1/p-1
InChI Key:
KYCFDALZGCGZCB-UHFFFAOYSA-M
SMILES:
[O-]S(=O)c1cc(ccc1C(F)(F)F)C(F)(F)F.[Na+]
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.966g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.15g/mol
Monoisotopic Mass:
299.966g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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