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129855-22-7 | Benzene, 1-bromo-2-[3-(phenylsulfonyl)-3-buten-1-yl]-
CAS No: 129855-22-7 Catalog No: AG000TRE MDL No:
Product Description
Catalog Number:
AG000TRE
Chemical Name:
Benzene, 1-bromo-2-[3-(phenylsulfonyl)-3-buten-1-yl]-
CAS Number:
129855-22-7
Molecular Formula:
C16H15BrO2S
Molecular Weight:
351.2581
IUPAC Name:
1-[3-(benzenesulfonyl)but-3-enyl]-2-bromobenzene
InChI:
InChI=1S/C16H15BrO2S/c1-13(11-12-14-7-5-6-10-16(14)17)20(18,19)15-8-3-2-4-9-15/h2-10H,1,11-12H2
InChI Key:
SYZYSELJNFJCJD-UHFFFAOYSA-N
SMILES:
Brc1ccccc1CCC(=C)S(=O)(=O)c1ccccc1
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.998g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
351.258g/mol
Monoisotopic Mass:
349.998g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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