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834906-50-2 | 9H-Fluorene, 2-bromo-9-(2,4,6-cycloheptatrien-1-ylidene)-7-phenyl-
CAS No: 834906-50-2 Catalog No: AG004VHP MDL No:
Product Description
Catalog Number:
AG004VHP
Chemical Name:
9H-Fluorene, 2-bromo-9-(2,4,6-cycloheptatrien-1-ylidene)-7-phenyl-
CAS Number:
834906-50-2
Molecular Formula:
C26H17Br
Molecular Weight:
409.3172
IUPAC Name:
2-bromo-9-cyclohepta-2,4,6-trien-1-ylidene-7-phenylfluorene
InChI:
InChI=1S/C26H17Br/c27-21-13-15-23-22-14-12-20(18-8-6-3-7-9-18)16-24(22)26(25(23)17-21)19-10-4-1-2-5-11-19/h1-17H
InChI Key:
JGCHKQXESNLGNP-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)C(=C1C=CC=CC=C1)c1c2ccc(c1)c1ccccc1
Properties
Complexity:
642
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
408.051g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
409.326g/mol
Monoisotopic Mass:
408.051g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.5
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