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138763-38-9 | Phenol, 4-[[4-(1-methylethyl)phenyl]sulfonyl]-
CAS No: 138763-38-9 Catalog No: AG0019HC MDL No:
Product Description
Catalog Number:
AG0019HC
Chemical Name:
Phenol, 4-[[4-(1-methylethyl)phenyl]sulfonyl]-
CAS Number:
138763-38-9
Molecular Formula:
C15H16O3S
Molecular Weight:
276.3507
IUPAC Name:
4-(4-propan-2-ylphenyl)sulfonylphenol
InChI:
InChI=1S/C15H16O3S/c1-11(2)12-3-7-14(8-4-12)19(17,18)15-9-5-13(16)6-10-15/h3-11,16H,1-2H3
InChI Key:
XRYDRHJQXLXMJL-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(C)C
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.082g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.35g/mol
Monoisotopic Mass:
276.082g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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