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88116-10-3 | Benzene, 2-(bromomethyl)-1-methoxy-3-[(phenylsulfonyl)methyl]-
CAS No: 88116-10-3 Catalog No: AG004FT9 MDL No:
Product Description
Catalog Number:
AG004FT9
Chemical Name:
Benzene, 2-(bromomethyl)-1-methoxy-3-[(phenylsulfonyl)methyl]-
CAS Number:
88116-10-3
Molecular Formula:
C15H15BrO3S
Molecular Weight:
355.2468
IUPAC Name:
1-(benzenesulfonylmethyl)-2-(bromomethyl)-3-methoxybenzene
InChI:
InChI=1S/C15H15BrO3S/c1-19-15-9-5-6-12(14(15)10-16)11-20(17,18)13-7-3-2-4-8-13/h2-9H,10-11H2,1H3
InChI Key:
SXGFIOOXFVKPQZ-UHFFFAOYSA-N
SMILES:
BrCc1c(OC)cccc1CS(=O)(=O)c1ccccc1
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.993g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
355.246g/mol
Monoisotopic Mass:
353.993g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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