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24045-96-3 | Phenol,2-iodo-4-methyl-, 1-(4-methylbenzenesulfonate)
CAS No: 24045-96-3 Catalog No: AG007O9M MDL No:MFCD07779040
Product Description
Catalog Number:
AG007O9M
Chemical Name:
Phenol,2-iodo-4-methyl-, 1-(4-methylbenzenesulfonate)
CAS Number:
24045-96-3
Molecular Formula:
C14H13IO3S
Molecular Weight:
388.2207
MDL Number:
MFCD07779040
IUPAC Name:
(2-iodo-4-methylphenyl) 4-methylbenzenesulfonate
InChI:
InChI=1S/C14H13IO3S/c1-10-3-6-12(7-4-10)19(16,17)18-14-8-5-11(2)9-13(14)15/h3-9H,1-2H3
InChI Key:
FWLUIDKVMQBHJD-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)Oc1ccc(cc1I)C
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
387.963g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
388.219g/mol
Monoisotopic Mass:
387.963g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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