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126613-16-9 | Benzene, 1-methoxy-4-[2-(phenylsulfonyl)ethynyl]-
CAS No: 126613-16-9 Catalog No: AG000T07 MDL No:
Product Description
Catalog Number:
AG000T07
Chemical Name:
Benzene, 1-methoxy-4-[2-(phenylsulfonyl)ethynyl]-
CAS Number:
126613-16-9
Molecular Formula:
C15H12O3S
Molecular Weight:
272.3190
IUPAC Name:
1-[2-(benzenesulfonyl)ethynyl]-4-methoxybenzene
InChI:
InChI=1S/C15H12O3S/c1-18-14-9-7-13(8-10-14)11-12-19(16,17)15-5-3-2-4-6-15/h2-10H,1H3
InChI Key:
OFEMYIYNUFSPJJ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C#CS(=O)(=O)c1ccccc1
Properties
Complexity:
435
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.051g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.318g/mol
Monoisotopic Mass:
272.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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