2-Bromo-9-fluorenone CAS NO.3096-56-8

1. Introduction of2-Bromo-9-fluorenone

The 2-Bromo-9-fluorenone,with its CAS NO3096-56-8, is a ki…

1. Introduction of 2-Bromo-9-fluorenone

 

The 2-Bromo-9-fluorenone,with its CAS NO 3096-56-8, is a kind of Off-white powder. It has synonyms of Fluoren-9-one,2-bromo- (6CI,7CI,8CI);2-Bromo-9H-fluoren-9-one and 2-Bromofluorenone. 2-Bromo-9-fluorenone should be stored in shady and cool warehouse.

 

2. Properties of 2-Bromo-9-fluorenone

 

(1) XLogP3 4.3 (2) H-Bond Acceptor 1 (3) Exact Mass 257.968027 
(4) MonoIsotopic Mass 257.968027 (5) Topological Polar Surface Area 17.1 
(6) Heavy Atom Count 15 (7) Complexity 276 (8) Covalently-Bonded Unit Count 1 
(9) Feature 3D Acceptor Count 1 (10) Feature 3D Hydrophobe Count 1 (11) Feature 3D Ring Count 3 
(12) Conformer Sampling RMSD 0.4 (13) CID Conformer Count 1
 

3. Structure descriptors of 2-Bromo-9-fluorenone

IUPAC Name: 2-bromofluoren-9-one

InChI: InChI=1S/C13H7BrO/c14-8-5-6-10-9-3-1-2-4-11(9)13(15)12(10)7-8/h1-7H

InChIKey: MTCARZDHUIEYMB-UHFFFAOYSA-N

Canonical SMILES : C1=CC=C2C(=C1)C3=C(C2=O)C=C(C=C3)Br