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1000018-15-4 | 2,4-Bis(methylsulfonyl)-1-bromobenzene
CAS No: 1000018-15-4 Catalog No: AG01F4BE MDL No:
Product Description
Catalog Number:
AG01F4BE
Chemical Name:
2,4-Bis(methylsulfonyl)-1-bromobenzene
CAS Number:
1000018-15-4
Molecular Formula:
C8H9BrO4S2
Molecular Weight:
313.1887
IUPAC Name:
1-bromo-2,4-bis(methylsulfonyl)benzene
InChI:
InChI=1S/C8H9BrO4S2/c1-14(10,11)6-3-4-7(9)8(5-6)15(2,12)13/h3-5H,1-2H3
InChI Key:
HVZSYPWJDNQYQL-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1S(=O)(=O)C)S(=O)(=O)C
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.913g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.18g/mol
Monoisotopic Mass:
311.913g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
85A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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