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1216-95-1 | Benzene, 1-methoxy-4-[(4-methylphenyl)sulfonyl]-
CAS No: 1216-95-1 Catalog No: AG0015E3 MDL No:
Product Description
Catalog Number:
AG0015E3
Chemical Name:
Benzene, 1-methoxy-4-[(4-methylphenyl)sulfonyl]-
CAS Number:
1216-95-1
Molecular Formula:
C14H14O3S
Molecular Weight:
262.3242
IUPAC Name:
1-(4-methoxyphenyl)sulfonyl-4-methylbenzene
InChI:
InChI=1S/C14H14O3S/c1-11-3-7-13(8-4-11)18(15,16)14-9-5-12(17-2)6-10-14/h3-10H,1-2H3
InChI Key:
RHZGFTNGGQAHIQ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.066g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.323g/mol
Monoisotopic Mass:
262.066g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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