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3112-84-3 | Benzene, 1-methoxy-4-(phenylsulfonyl)-
CAS No: 3112-84-3 Catalog No: AG003262 MDL No:
Product Description
Catalog Number:
AG003262
Chemical Name:
Benzene, 1-methoxy-4-(phenylsulfonyl)-
CAS Number:
3112-84-3
Molecular Formula:
C13H12O3S
Molecular Weight:
248.2976
IUPAC Name:
1-(benzenesulfonyl)-4-methoxybenzene
InChI:
InChI=1S/C13H12O3S/c1-16-11-7-9-13(10-8-11)17(14,15)12-5-3-2-4-6-12/h2-10H,1H3
InChI Key:
KXUNNMWAIMNUPH-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)S(=O)(=O)c1ccccc1
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.051g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.296g/mol
Monoisotopic Mass:
248.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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