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152716-82-0 | Sodium 2-iodo-5-methylbenzenesulfonate
CAS No: 152716-82-0 Catalog No: AG006TS0 MDL No:MFCD23135352
Product Description
Catalog Number:
AG006TS0
Chemical Name:
Sodium 2-iodo-5-methylbenzenesulfonate
CAS Number:
152716-82-0
Molecular Formula:
C7H6INaO3S
Molecular Weight:
320.0800
MDL Number:
MFCD23135352
IUPAC Name:
sodium;2-iodo-5-methylbenzenesulfonate
InChI:
InChI=1S/C7H7IO3S.Na/c1-5-2-3-6(8)7(4-5)12(9,10)11;/h2-4H,1H3,(H,9,10,11);/q;+1/p-1
InChI Key:
FLUQPFRGXKRYMK-UHFFFAOYSA-M
SMILES:
Cc1ccc(c(c1)S(=O)(=O)[O-])I.[Na+]
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.898g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.076g/mol
Monoisotopic Mass:
319.898g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
65.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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