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163706-67-0 | Benzene, (1-cyclobuten-1-ylsulfonyl)-
CAS No: 163706-67-0 Catalog No: AG001UBS MDL No:
Product Description
Catalog Number:
AG001UBS
Chemical Name:
Benzene, (1-cyclobuten-1-ylsulfonyl)-
CAS Number:
163706-67-0
Molecular Formula:
C10H10O2S
Molecular Weight:
194.2502
IUPAC Name:
cyclobuten-1-ylsulfonylbenzene
InChI:
InChI=1S/C10H10O2S/c11-13(12,10-7-4-8-10)9-5-2-1-3-6-9/h1-3,5-7H,4,8H2
InChI Key:
NBEUIIMJYDHOMZ-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1ccccc1)C1=CCC1
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.04g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.248g/mol
Monoisotopic Mass:
194.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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