Home Other Building Blocks sodium 2-(trifluoromethyl)benzene-1-sulfinate

sodium 2-(trifluoromethyl)benzene-1-sulfinate

CAS No.:
1009628-70-9
Catalog Number:
AG01B17H
Molecular Formula:
C7H4F3NaO2S
Molecular Weight:
232.1554
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Product Description
Catalog Number:
AG01B17H
Chemical Name:
sodium 2-(trifluoromethyl)benzene-1-sulfinate
CAS Number:
1009628-70-9
Molecular Formula:
C7H4F3NaO2S
Molecular Weight:
232.1554
MDL Number:
MFCD11618069
IUPAC Name:
sodium;2-(trifluoromethyl)benzenesulfinate
InChI:
InChI=1S/C7H5F3O2S.Na/c8-7(9,10)5-3-1-2-4-6(5)13(11)12;/h1-4H,(H,11,12);/q;+1/p-1
InChI Key:
XYBCDQSEZJACQL-UHFFFAOYSA-M
SMILES:
[O-]S(=O)c1ccccc1C(F)(F)F.[Na+]
Properties
Complexity:
210  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.978g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.152g/mol
Monoisotopic Mass:
231.978g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties