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1233513-49-9 | 2-Bromo-4-(trifluoromethyl)benzenesulfinic acid sodium salt
CAS No: 1233513-49-9 Catalog No: AG01F6T7 MDL No:
Product Description
Catalog Number:
AG01F6T7
Chemical Name:
2-Bromo-4-(trifluoromethyl)benzenesulfinic acid sodium salt
CAS Number:
1233513-49-9
Molecular Formula:
C7H3BrF3NaO2S
Molecular Weight:
311.0515
IUPAC Name:
sodium;2-bromo-4-(trifluoromethyl)benzenesulfinate
InChI:
InChI=1S/C7H4BrF3O2S.Na/c8-5-3-4(7(9,10)11)1-2-6(5)14(12)13;/h1-3H,(H,12,13);/q;+1/p-1
InChI Key:
ZSVYPDKIWYJKDE-UHFFFAOYSA-M
SMILES:
[O-]S(=O)c1ccc(cc1Br)C(F)(F)F.[Na+]
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.889g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.048g/mol
Monoisotopic Mass:
309.889g/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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