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26408-93-5 | Phenol, 3-amino-, 1-benzenesulfonate
CAS No: 26408-93-5 Catalog No: AG002T3D MDL No:
Product Description
Catalog Number:
AG002T3D
Chemical Name:
Phenol, 3-amino-, 1-benzenesulfonate
CAS Number:
26408-93-5
Molecular Formula:
C12H11NO3S
Molecular Weight:
249.2856
IUPAC Name:
(3-aminophenyl) benzenesulfonate
InChI:
InChI=1S/C12H11NO3S/c13-10-5-4-6-11(9-10)16-17(14,15)12-7-2-1-3-8-12/h1-9H,13H2
InChI Key:
DGMUOPTYPWAHII-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)OS(=O)(=O)c1ccccc1
EC Number:
247-677-0
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.046g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.284g/mol
Monoisotopic Mass:
249.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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