Home Sulfos sodium 3-bromobenzene-1-sulfonate

sodium 3-bromobenzene-1-sulfonate

CAS No.:
91724-67-3
Catalog Number:
AG01C12J
Molecular Formula:
C6H4BrNaO3S
Molecular Weight:
259.0529
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Product Description
Catalog Number:
AG01C12J
Chemical Name:
sodium 3-bromobenzene-1-sulfonate
CAS Number:
91724-67-3
Molecular Formula:
C6H4BrNaO3S
Molecular Weight:
259.0529
MDL Number:
MFCD24248488
IUPAC Name:
sodium;3-bromobenzenesulfonate
InChI:
InChI=1S/C6H5BrO3S.Na/c7-5-2-1-3-6(4-5)11(8,9)10;/h1-4H,(H,8,9,10);/q;+1/p-1
InChI Key:
IKVCBLQTUAXKFQ-UHFFFAOYSA-M
SMILES:
Brc1cccc(c1)S(=O)(=O)[O-].[Na+]
Properties
Complexity:
223  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.896g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.049g/mol
Monoisotopic Mass:
257.896g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
65.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties