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101431-40-7 | Benzene, 1-(1,1-dimethylethyl)-4-(phenylsulfonyl)-
CAS No: 101431-40-7 Catalog No: AG0004HJ MDL No:
Product Description
Catalog Number:
AG0004HJ
Chemical Name:
Benzene, 1-(1,1-dimethylethyl)-4-(phenylsulfonyl)-
CAS Number:
101431-40-7
Molecular Formula:
C16H18O2S
Molecular Weight:
274.3779
IUPAC Name:
1-(benzenesulfonyl)-4-tert-butylbenzene
InChI:
InChI=1S/C16H18O2S/c1-16(2,3)13-9-11-15(12-10-13)19(17,18)14-7-5-4-6-8-14/h4-12H,1-3H3
InChI Key:
AZICHRGEWDKLBL-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)S(=O)(=O)c1ccccc1)(C)C
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.103g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.378g/mol
Monoisotopic Mass:
274.103g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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