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129527-19-1 | Benzene, 1-methoxy-3-[(phenylsulfonyl)methyl]-
CAS No: 129527-19-1 Catalog No: AG000Z7C MDL No:
Product Description
Catalog Number:
AG000Z7C
Chemical Name:
Benzene, 1-methoxy-3-[(phenylsulfonyl)methyl]-
CAS Number:
129527-19-1
Molecular Formula:
C14H14O3S
Molecular Weight:
262.3242
IUPAC Name:
1-(benzenesulfonylmethyl)-3-methoxybenzene
InChI:
InChI=1S/C14H14O3S/c1-17-13-7-5-6-12(10-13)11-18(15,16)14-8-3-2-4-9-14/h2-10H,11H2,1H3
InChI Key:
XJWULFNRSQAAII-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)CS(=O)(=O)c1ccccc1
Properties
Complexity:
339
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:
4
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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