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90311-67-4 | Phenol, 4-[(4-butoxyphenyl)sulfonyl]-
CAS No: 90311-67-4 Catalog No: AG006FWI MDL No:
Product Description
Catalog Number:
AG006FWI
Chemical Name:
Phenol, 4-[(4-butoxyphenyl)sulfonyl]-
CAS Number:
90311-67-4
Molecular Formula:
C16H18O4S
Molecular Weight:
306.3767
IUPAC Name:
4-(4-butoxyphenyl)sulfonylphenol
InChI:
InChI=1S/C16H18O4S/c1-2-3-12-20-14-6-10-16(11-7-14)21(18,19)15-8-4-13(17)5-9-15/h4-11,17H,2-3,12H2,1H3
InChI Key:
DXFUDHVJEJLORI-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(cc1)S(=O)(=O)c1ccc(cc1)O
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.093g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
306.376g/mol
Monoisotopic Mass:
306.093g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
72A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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