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28995-88-2 | Benzene, 1-methyl-4-[(2-phenylethynyl)sulfonyl]-
CAS No: 28995-88-2 Catalog No: AG002V5E MDL No:
Product Description
Catalog Number:
AG002V5E
Chemical Name:
Benzene, 1-methyl-4-[(2-phenylethynyl)sulfonyl]-
CAS Number:
28995-88-2
Molecular Formula:
C15H12O2S
Molecular Weight:
256.3196
IUPAC Name:
1-methyl-4-(2-phenylethynylsulfonyl)benzene
InChI:
InChI=1S/C15H12O2S/c1-13-7-9-15(10-8-13)18(16,17)12-11-14-5-3-2-4-6-14/h2-10H,1H3
InChI Key:
LCFRAXQOCAQFJR-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)C#Cc1ccccc1
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.056g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.319g/mol
Monoisotopic Mass:
256.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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