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129800-98-2 | Benzene, [[2-(bromomethyl)-2-propen-1-yl]sulfonyl]-
CAS No: 129800-98-2 Catalog No: AG000TOY MDL No:
Product Description
Catalog Number:
AG000TOY
Chemical Name:
Benzene, [[2-(bromomethyl)-2-propen-1-yl]sulfonyl]-
CAS Number:
129800-98-2
Molecular Formula:
C10H11BrO2S
Molecular Weight:
275.1621
IUPAC Name:
2-(bromomethyl)prop-2-enylsulfonylbenzene
InChI:
InChI=1S/C10H11BrO2S/c1-9(7-11)8-14(12,13)10-5-3-2-4-6-10/h2-6H,1,7-8H2
InChI Key:
WBSHCYNWADKVBN-UHFFFAOYSA-N
SMILES:
BrCC(=C)CS(=O)(=O)c1ccccc1
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.966g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.16g/mol
Monoisotopic Mass:
273.966g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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