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Bromadiolone - CAS 28772-56-7

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Catalog Number: R058578

CAS Number: 28772-56-7

PubChem Substance ID:355151450

Molecular Formula: C30H23BrO4

Molecular Weight:527.414

Purity: ≥95%

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Synonym

Synonyms3-[3-(4’-Bromo[1,1’-biphenyl]-4-yl)-3-hydroxy-1-phenylpropyl]-4-hydroxy-2H-1-benzopyran-2-one; 3-[α-[p-(p-Bromophenyl)-β-hydroxyphenethyl]benzyl]-4-hydroxycoumarin; Hemus AB; Maki; Roban;

Property

Molecular Formula: C30H23BrO4
Molecular Weight527.414
Purity≥95%
Storage-20°C

Computed Descriptor

IUPAC Name3-[3-[4-(4-bromophenyl)phenyl]-3-hydroxy-1-phenylpropyl]-4-hydroxychromen-2-one
InChIInChI=1S/C30H23BrO4/c31-23-16-14-20(15-17-23)19-10-12-22(13-11-19)26(32)18-25(21-6-2-1-3-7-21)28-29(33)24-8-4-5-9-27(24)35-30(28)34/h1-17,25-26,32-33H,18H2
InChIKeyOWNRRUFOJXFKCU-UHFFFAOYSA-N
SMILESC1=CC=C(C=C1)C(CC(C2=CC=C(C=C2)C3=CC=C(C=C3)Br)O)C4=C(C5=CC=CC=C5OC4=O)O