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7671-49-0 | 4-Iodo-1-butanesulfonic acid sodium salt
CAS No: 7671-49-0 Catalog No: AG00GF7I MDL No:MFCD14584968
Product Description
Catalog Number:
AG00GF7I
Chemical Name:
4-Iodo-1-butanesulfonic acid sodium salt
CAS Number:
7671-49-0
Molecular Formula:
C4H8INaO3S
Molecular Weight:
286.0638
MDL Number:
MFCD14584968
IUPAC Name:
sodium;4-iodobutane-1-sulfonate
InChI:
InChI=1S/C4H9IO3S.Na/c5-3-1-2-4-9(6,7)8;/h1-4H2,(H,6,7,8);/q;+1/p-1
InChI Key:
NFZCPMXLVKIUQR-UHFFFAOYSA-M
SMILES:
ICCCCS(=O)(=O)[O-].[Na+]
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.914g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.059g/mol
Monoisotopic Mass:
285.914g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
65.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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