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824390-52-5 | 9,9'-Spirobi[9H-fluorene], 2,7-dibromo-3,6-dimethoxy-
CAS No: 824390-52-5 Catalog No: AG004WQO MDL No:
Product Description
Catalog Number:
AG004WQO
Chemical Name:
9,9'-Spirobi[9H-fluorene], 2,7-dibromo-3,6-dimethoxy-
CAS Number:
824390-52-5
Molecular Formula:
C27H18Br2O2
Molecular Weight:
534.2386
IUPAC Name:
2',7'-dibromo-3',6'-dimethoxy-9,9'-spirobi[fluorene]
InChI:
InChI=1S/C27H18Br2O2/c1-30-25-11-17-18-12-26(31-2)24(29)14-22(18)27(21(17)13-23(25)28)19-9-5-3-7-15(19)16-8-4-6-10-20(16)27/h3-14H,1-2H3
InChI Key:
ROMLJYXYMOFDTI-UHFFFAOYSA-N
SMILES:
COc1cc2c3cc(OC)c(cc3C3(c2cc1Br)c1ccccc1c1c3cccc1)Br
Properties
Complexity:
614
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
533.965g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
534.247g/mol
Monoisotopic Mass:
531.967g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.7
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