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157331-84-5 | 9H-Fluoren-9-ol, 9,9'-[1,1'-biphenyl]-2,2'-diylbis[2,7-dibromo- (9CI)
CAS No: 157331-84-5 Catalog No: AG001PEG MDL No:
Product Description
Catalog Number:
AG001PEG
Chemical Name:
9H-Fluoren-9-ol, 9,9'-[1,1'-biphenyl]-2,2'-diylbis[2,7-dibromo- (9CI)
CAS Number:
157331-84-5
Molecular Formula:
C38H22Br4O2
Molecular Weight:
830.1961
IUPAC Name:
2,7-dibromo-9-[2-[2-(2,7-dibromo-9-hydroxyfluoren-9-yl)phenyl]phenyl]fluoren-9-ol
InChI:
InChI=1S/C38H22Br4O2/c39-21-9-13-27-28-14-10-22(40)18-34(28)37(43,33(27)17-21)31-7-3-1-5-25(31)26-6-2-4-8-32(26)38(44)35-19-23(41)11-15-29(35)30-16-12-24(42)20-36(30)38/h1-20,43-44H
InChI Key:
QKTUIKVRGMYGCO-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)C(O)(c1ccccc1c1ccccc1C1(O)c3cc(Br)ccc3c3c1cc(Br)cc3)c1c2ccc(c1)Br
Properties
Complexity:
906
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
829.831g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
830.208g/mol
Monoisotopic Mass:
825.835g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.3
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