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16733-68-9 | Benzene, 1-bromo-4-(2-propen-1-ylsulfonyl)-
CAS No: 16733-68-9 Catalog No: AG001XBJ MDL No:
Product Description
Catalog Number:
AG001XBJ
Chemical Name:
Benzene, 1-bromo-4-(2-propen-1-ylsulfonyl)-
CAS Number:
16733-68-9
Molecular Formula:
C9H9BrO2S
Molecular Weight:
261.1356
IUPAC Name:
1-bromo-4-prop-2-enylsulfonylbenzene
InChI:
InChI=1S/C9H9BrO2S/c1-2-7-13(11,12)9-5-3-8(10)4-6-9/h2-6H,1,7H2
InChI Key:
IKNDXXAOAZRRJV-UHFFFAOYSA-N
SMILES:
C=CCS(=O)(=O)c1ccc(cc1)Br
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.951g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.133g/mol
Monoisotopic Mass:
259.951g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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