3855-85-4
6,8-DIBROMO-3-BUTYRYL-2H-CHROMEN-2-ONE
Name
6,8-DIBROMO-3-BUTYRYL-2H-CHROMEN-2-ONE
Formula
C13 H10 Br2 O3
MolWeight
374.027
1Identification
【Name】
6,8-DIBROMO-3-BUTYRYL-2H-CHROMEN-2-ONE
【CAS】
【MDL】
MFCD00052895
【English Synonyms】
【Formula】
C13 H10 Br2 O3
【MolWeight】
374.027
【Inchi】
InChI=1S/C13H10Br2O3/c1-2-3-11(16)9-5-7-4-8(14)6-10(15)12(7)18-13(9)17/h4-6H,2-3H2,1H3
【InChIKey】
InChIKey=JOMXLHCIWLDDIM-UHFFFAOYSA-N
【SMILES】
CCCC(=O)c1cc2cc(cc(c2oc1=O)Br)Br
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:3.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
6,8-DIBROMO-3-BUTYRYL-2H-CHROMEN-2-ONE.cml
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