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175278-64-5 | Benzenesulfinic acid, 4-bromo-, sodium salt, hydrate (1:1:2)
CAS No: 175278-64-5 Catalog No: AG0020UV MDL No:MFCD00210139
Product Description
Catalog Number:
AG0020UV
Chemical Name:
Benzenesulfinic acid, 4-bromo-, sodium salt, hydrate (1:1:2)
CAS Number:
175278-64-5
Molecular Formula:
C6H8BrNaO4S
Molecular Weight:
279.0841
MDL Number:
MFCD00210139
IUPAC Name:
sodium;4-bromobenzenesulfinate;dihydrate
InChI:
InChI=1S/C6H5BrO2S.Na.2H2O/c7-5-1-3-6(4-2-5)10(8)9;;;/h1-4H,(H,8,9);;2*1H2/q;+1;;/p-1
InChI Key:
SEHRIJWUZPAQNR-UHFFFAOYSA-M
SMILES:
Brc1ccc(cc1)S(=O)[O-].O.O.[Na+]
Properties
Complexity:
137
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.922g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
279.08g/mol
Monoisotopic Mass:
277.922g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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