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Home > Aldehydes > 852054-42-3
852054-42-3 | 7-Bromo-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbaldehyde
CAS No: 852054-42-3 Catalog No: AG004VZ4 MDL No:MFCD08690306
Product Description
Catalog Number:
AG004VZ4
Chemical Name:
7-Bromo-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbaldehyde
CAS Number:
852054-42-3
Molecular Formula:
C7H5BrO3S
Molecular Weight:
249.0818
MDL Number:
MFCD08690306
IUPAC Name:
5-bromo-2,3-dihydrothieno[3,4-b][1,4]dioxine-7-carbaldehyde
InChI:
InChI=1S/C7H5BrO3S/c8-7-6-5(4(3-9)12-7)10-1-2-11-6/h3H,1-2H2
InChI Key:
YEKBJVHBVICUOZ-UHFFFAOYSA-N
SMILES:
O=Cc1sc(c2c1OCCO2)Br
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.914g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.078g/mol
Monoisotopic Mass:
247.914g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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