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16003-63-7 | Benzene, [[(dibromomethyl)sulfonyl]methyl]-
CAS No: 16003-63-7 Catalog No: AG001RML MDL No:
Product Description
Catalog Number:
AG001RML
Chemical Name:
Benzene, [[(dibromomethyl)sulfonyl]methyl]-
CAS Number:
16003-63-7
Molecular Formula:
C8H8Br2O2S
Molecular Weight:
328.0209
IUPAC Name:
dibromomethylsulfonylmethylbenzene
InChI:
InChI=1S/C8H8Br2O2S/c9-8(10)13(11,12)6-7-4-2-1-3-5-7/h1-5,8H,6H2
InChI Key:
JFXRNMIMRDDPLD-UHFFFAOYSA-N
SMILES:
BrC(S(=O)(=O)Cc1ccccc1)Br
NSC Number:
109952
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.859g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
328.018g/mol
Monoisotopic Mass:
325.861g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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