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189313-34-6 | 1,4-Biphenylenedione, 4a-bromo-4a,8b-dihydro-
CAS No: 189313-34-6 Catalog No: AG002I8W MDL No:
Product Description
Catalog Number:
AG002I8W
Chemical Name:
1,4-Biphenylenedione, 4a-bromo-4a,8b-dihydro-
CAS Number:
189313-34-6
Molecular Formula:
C12H7BrO2
Molecular Weight:
263.0868
IUPAC Name:
8b-bromo-4aH-biphenylene-1,4-dione
InChI:
InChI=1S/C12H7BrO2/c13-12-8-4-2-1-3-7(8)11(12)9(14)5-6-10(12)15/h1-6,11H
InChI Key:
PBRUXBFVEGSBNK-UHFFFAOYSA-N
SMILES:
O=C1C=CC(=O)C2(C1c1ccccc21)Br
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.963g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.09g/mol
Monoisotopic Mass:
261.963g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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