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87478-58-8 | Benzene, 2,4-dibromo-1-[(chloromethyl)sulfonyl]-
CAS No: 87478-58-8 Catalog No: AG004FN4 MDL No:
Product Description
Catalog Number:
AG004FN4
Chemical Name:
Benzene, 2,4-dibromo-1-[(chloromethyl)sulfonyl]-
CAS Number:
87478-58-8
Molecular Formula:
C7H5Br2ClO2S
Molecular Weight:
348.4394
IUPAC Name:
2,4-dibromo-1-(chloromethylsulfonyl)benzene
InChI:
InChI=1S/C7H5Br2ClO2S/c8-5-1-2-7(6(9)3-5)13(11,12)4-10/h1-3H,4H2
InChI Key:
DFEHUFSTRBXERV-UHFFFAOYSA-N
SMILES:
ClCS(=O)(=O)c1ccc(cc1Br)Br
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.805g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
348.433g/mol
Monoisotopic Mass:
345.807g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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