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302554-82-1 | Thieno[3,4-b]-1,4-dioxin, 5-bromo-2,3-dihydro-
CAS No: 302554-82-1 Catalog No: AG002ZDG MDL No:
Product Description
Catalog Number:
AG002ZDG
Chemical Name:
Thieno[3,4-b]-1,4-dioxin, 5-bromo-2,3-dihydro-
CAS Number:
302554-82-1
Molecular Formula:
C6H5BrO2S
Molecular Weight:
221.0717
IUPAC Name:
5-bromo-2,3-dihydrothieno[3,4-b][1,4]dioxine
InChI:
InChI=1S/C6H5BrO2S/c7-6-5-4(3-10-6)8-1-2-9-5/h3H,1-2H2
InChI Key:
LECGHFZOZHNNCP-UHFFFAOYSA-N
SMILES:
Brc1scc2c1OCCO2
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.919g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.068g/mol
Monoisotopic Mass:
219.919g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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