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145708-71-0 | Bicyclo[4.2.0]octa-1,3,5-triene, 2,5-dibromo-
CAS No: 145708-71-0 Catalog No: AG001DBH MDL No:
Product Description
Catalog Number:
AG001DBH
Chemical Name:
Bicyclo[4.2.0]octa-1,3,5-triene, 2,5-dibromo-
CAS Number:
145708-71-0
Molecular Formula:
C8H6Br2
Molecular Weight:
261.9412
IUPAC Name:
2,5-dibromobicyclo[4.2.0]octa-1,3,5-triene
InChI:
InChI=1S/C8H6Br2/c9-7-3-4-8(10)6-2-1-5(6)7/h3-4H,1-2H2
InChI Key:
BQHUBDRCPFXCEM-UHFFFAOYSA-N
SMILES:
Brc1ccc(c2c1CC2)Br
Properties
Complexity:
119
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.882g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.944g/mol
Monoisotopic Mass:
259.884g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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