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865305-64-2 | Phenol, 5-iodo-4-methoxy-2-(1-methylethyl)-, 4-methylbenzenesulfonate
CAS No: 865305-64-2 Catalog No: AG00IE3Y MDL No:MFCD20486951
Product Description
Catalog Number:
AG00IE3Y
Chemical Name:
Phenol, 5-iodo-4-methoxy-2-(1-methylethyl)-, 4-methylbenzenesulfonate
CAS Number:
865305-64-2
Molecular Formula:
C17H19IO4S
Molecular Weight:
446.2998
MDL Number:
MFCD20486951
IUPAC Name:
(5-iodo-4-methoxy-2-propan-2-ylphenyl) 4-methylbenzenesulfonate
InChI:
InChI=1S/C17H19IO4S/c1-11(2)14-9-17(21-4)15(18)10-16(14)22-23(19,20)13-7-5-12(3)6-8-13/h5-11H,1-4H3
InChI Key:
ZRMFDOXAJNEWIL-UHFFFAOYSA-N
SMILES:
COc1cc(C(C)C)c(cc1I)OS(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
466
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
446.005g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
446.299g/mol
Monoisotopic Mass:
446.005g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
61A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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