2-Bromo-9,9'-spirobifluorene CAS NO.171408-76-7

1. Introduction of2-Bromo-9,9'-spirobifluorene

The 2-Bromo-9,9'-spirobifluorene, with its CAS NO1…

 1. Introduction of 2-Bromo-9,9'-spirobifluorene

 

The 2-Bromo-9,9'-spirobifluorene, with its CAS NO 171408-76-7, is a kind of white powder. It has synonyms of 2-Bromo-9,9'-spirobi[9H-fluorene] and 2-Bromo-9-spirobifluorene. 2-Bromo-9,9'-spirobifluorene should be stored in shady and cool warehouse.

 

2. Properties of 2-Bromo-9,9'-spirobifluorene

 

(1) XLogP3-AA 7.1  (2) Exact Mass 394.035713  (3) MonoIsotopic Mass 394.035713
(4) Topological Polar Surface Area 0  (5) Heavy Atom Count 26  (6) Complexity 518 
(7) Covalently-Bonded Unit Count 1 (8) Feature 3D Hydrophobe Count 1 (9) Feature 3D Ring Count 6
(10) Conformer Sampling RMSD 0.6 (11) CID Conformer Count 1
 

 

3. Structure descriptors of 2-Bromo-9,9'-spirobifluorene

 

IUPAC Name: 2-bromo-9,9'-spirobi[fluorene]

InChI: InChI=1S/C25H15Br/c26-16-13-14-20-19-9-3-6-12-23(19)25(24(20)15-16)21-
10-4-1-7-17(21)18-8-2-5-11-22(18)25/h1-15H

InChIKey: ONCCVJKFWKAZAE-UHFFFAOYSA-N

Canonical SMILES : C1=CC=C2C(=C1)C3=C(C24C5=CC=CC=C5C6=CC=CC=C46)C=C(C=C3)Br