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887571-06-4 | 2-bromo-1-(1,1-dioxidothiomorpholino)ethanone
CAS No: 887571-06-4 Catalog No: AG01ELTB MDL No:MFCD03840693
Product Description
Catalog Number:
AG01ELTB
Chemical Name:
2-bromo-1-(1,1-dioxidothiomorpholino)ethanone
CAS Number:
887571-06-4
Molecular Formula:
C6H10BrNO3S
Molecular Weight:
256.1175
MDL Number:
MFCD03840693
IUPAC Name:
2-bromo-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone
InChI:
InChI=1S/C6H10BrNO3S/c7-5-6(9)8-1-3-12(10,11)4-2-8/h1-5H2
InChI Key:
SDEXRDKFFRNZMZ-UHFFFAOYSA-N
SMILES:
BrCC(=O)N1CCS(=O)(=O)CC1
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.956g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.114g/mol
Monoisotopic Mass:
254.956g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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