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28718-78-7 | Benzofuran, 5-bromo-2-(4-bromophenyl)-
CAS No: 28718-78-7 Catalog No: AG002W8T MDL No:
Product Description
Catalog Number:
AG002W8T
Chemical Name:
Benzofuran, 5-bromo-2-(4-bromophenyl)-
CAS Number:
28718-78-7
Molecular Formula:
C14H8Br2O
Molecular Weight:
352.0207
IUPAC Name:
5-bromo-2-(4-bromophenyl)-1-benzofuran
InChI:
InChI=1S/C14H8Br2O/c15-11-3-1-9(2-4-11)14-8-10-7-12(16)5-6-13(10)17-14/h1-8H
InChI Key:
QPTFSRLJKIACCB-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)c1oc2c(c1)cc(cc2)Br
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.892g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
352.025g/mol
Monoisotopic Mass:
349.894g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
13.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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