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189756-89-6 | 1,2-Oxathiolane, 4-bromo-, 2,2-dioxide
CAS No: 189756-89-6 Catalog No: AG002DXQ MDL No:MFCD07776572
Product Description
Catalog Number:
AG002DXQ
Chemical Name:
1,2-Oxathiolane, 4-bromo-, 2,2-dioxide
CAS Number:
189756-89-6
Molecular Formula:
C3H5BrO3S
Molecular Weight:
201.0390
MDL Number:
MFCD07776572
IUPAC Name:
4-bromooxathiolane 2,2-dioxide
InChI:
InChI=1S/C3H5BrO3S/c4-3-1-7-8(5,6)2-3/h3H,1-2H2
InChI Key:
QWGFMEUQQADOOD-UHFFFAOYSA-N
SMILES:
BrC1COS(=O)(=O)C1
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.914g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.034g/mol
Monoisotopic Mass:
199.914g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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