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1376711-78-2 | 10-bromo-7-oxo-3,11-dithiatricyclo[6.3.0.0,2,6]undeca-1(8),2(6),4,9-tetraene-4-carbaldehyde
CAS No: 1376711-78-2 Catalog No: AG01BFXA MDL No:MFCD28118754
Product Description
Catalog Number:
AG01BFXA
Chemical Name:
10-bromo-7-oxo-3,11-dithiatricyclo[6.3.0.0,2,6]undeca-1(8),2(6),4,9-tetraene-4-carbaldehyde
CAS Number:
1376711-78-2
Molecular Formula:
C10H3BrO2S2
Molecular Weight:
299.1636
MDL Number:
MFCD28118754
IUPAC Name:
10-bromo-7-oxo-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-4-carbaldehyde
InChI:
InChI=1S/C10H3BrO2S2/c11-7-2-6-8(13)5-1-4(3-12)14-9(5)10(6)15-7/h1-3H
InChI Key:
CEJIJBXVXQCDFU-UHFFFAOYSA-N
SMILES:
O=Cc1cc2c(s1)c1c(C2=O)cc(s1)Br
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.876g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.156g/mol
Monoisotopic Mass:
297.876g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
90.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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