4'-Bromoacetophenone, 4'-Bromoacetophenone buy, 98% 4'-Bromoacetophenone, 4'-Bromoacetophenone suppliers CAS NO.99-90-1

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1. Introduction of 4'-Bromoacetophenone

The 4'-Bromoacetophenone, with its CAS NO 99-90-1, is a kind of white to light yellow crystals. It has synonyms of 4-Bromoacetophenone;p-Bromophenyl methyl ketone;Ethanone, 1-(4-bromophenyl)-;1-(4-Bromophenyl)ethanone;p-Bromoacetophenone;Methyl p-bromophenyl ketone;Ethanone, 1- (4-bromophenyl)- Acetophenone, 4-bromo- (8CI).

2. Properteis of 4'-Bromoacetophenone

(1) XLogP3 2.4  (2) H-Bond Accept1  (3) Rotatable Bond Count 1
(4) Tautomer Count 2 (5) Exact Mass 197.968027  (6) MonoIsotopic Mass 197.968027
(7) Topological Polar Surface Area 17.1  (8) Heavy Atom Count 10  (9) Complexity 125 
(10) Covalently-Bonded Unit Count 1 (11) Feature 3D AcceptCount 1
(12) Feature 3D Hydrophobe Count 1  (13) Feature 3D Ring Count 1
(14) Effective RotCount 1 (15) Conformer Sampling RMSD 0.4 (16) CID Conformer Count 2
 

3. Structure descriptors of 4'-Bromoacetophenone

IUPAC Name: 1-(4-bromophenyl)ethanone

InChI: InChI=1S/C8H7BrO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,1H3

InChIKey: WYECURVXVYPVAT-UHFFFAOYSA-N

Canonical SMILES : CC(=O)C1=CC=C(C=C1)Br