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24962-55-8 | Phenol, 4-iodo-, 1-(4-methylbenzenesulfonate)
CAS No: 24962-55-8 Catalog No: AG002Q0C MDL No:MFCD01231278
Product Description
Catalog Number:
AG002Q0C
Chemical Name:
Phenol, 4-iodo-, 1-(4-methylbenzenesulfonate)
CAS Number:
24962-55-8
Molecular Formula:
C13H11IO3S
Molecular Weight:
374.1941
MDL Number:
MFCD01231278
IUPAC Name:
(4-iodophenyl) 4-methylbenzenesulfonate
InChI:
InChI=1S/C13H11IO3S/c1-10-2-8-13(9-3-10)18(15,16)17-12-6-4-11(14)5-7-12/h2-9H,1H3
InChI Key:
DDXDGBOZDFYVGL-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)Oc1ccc(cc1)I
NSC Number:
173913
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
373.947g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
374.192g/mol
Monoisotopic Mass:
373.947g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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