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101857-61-8 | 1,2-Oxathiin, 3-bromo-4-(bromomethyl)-6-methyl-, 2,2-dioxide
CAS No: 101857-61-8 Catalog No: AG0005R2 MDL No:
Product Description
Catalog Number:
AG0005R2
Chemical Name:
1,2-Oxathiin, 3-bromo-4-(bromomethyl)-6-methyl-, 2,2-dioxide
CAS Number:
101857-61-8
Molecular Formula:
C6H6Br2O3S
Molecular Weight:
317.9830
IUPAC Name:
3-bromo-4-(bromomethyl)-6-methyloxathiine 2,2-dioxide
InChI:
InChI=1S/C6H6Br2O3S/c1-4-2-5(3-7)6(8)12(9,10)11-4/h2H,3H2,1H3
InChI Key:
LJIZARRURQIJHB-UHFFFAOYSA-N
SMILES:
BrCC1=C(Br)S(=O)(=O)OC(=C1)C
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.838g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.979g/mol
Monoisotopic Mass:
315.84g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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