92507-97-6 Purity
≥98%
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The molecular formula is C23H15BrO3.
The synonyms are Panacyl bromide, 94345-04-7, 4-(9-Anthroyloxy)phenacyl bromide, 4-(2-bromoacetyl)phenyl anthracene-9-carboxylate, [4-(2-bromoacetyl)phenyl] anthracene-9-carboxylate, p-(9-anthroyloxy)phenacyl bromide, 4-(9-Anthroyloxy)-2-bromoacetophenone, SCHEMBL3292986, 9-Anthracenecarboxylic acid, 4-(bromoacetyl)phenyl ester, DTXSID20241433, AKOS025295944, 4-(2-bromoacetyl)phenylanthracene-9-carboxylate, 9-Anthracenecarboxyl acid, 4-(bromoacetyl)phenyl ester, 9-Anthracenecarboxylicacid, 4-(2-bromoacetyl)phenyl ester, 4-(9-ANTHROYLOXY)PHENACYLBROMIDE, FT-0616680, F87581.
The IUPAC name is [4-(2-bromoacetyl)phenyl] anthracene-9-carboxylate.
The InChI is InChI=1S/C23H15BrO3/c24-14-21(25)15-9-11-18(12-10-15)27-23(26)22-19-7-3-1-5-16(19)13-17-6-2-4-8-20(17)22/h1-13H,14H2.
The InChIKey is QHXHFBODVCCJIP-UHFFFAOYSA-N.
The canonical SMILES is C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C(=O)OC4=CC=C(C=C4)C(=O)CBr.
The CAS number is 94345-04-7.
The molecular weight is 419.3 g/mol.
There are 0 hydrogen bond donor counts.
There are 5 rotatable bond counts.