898785-80-3
4'-BROMO-5-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)VALEROPHENONE
Name4'-BROMO-5-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)VALEROPHENONE
1Identification
【Name】
4'-BROMO-5-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)VALEROPHENONE
【CAS】
【MDL】
MFCD03844234
【English Synonyms】
【Formula】
C17 H23 Br O3
【MolWeight】
355.27
【Inchi】
InChI=1S/C17H23BrO3/c1-17(2)11-20-16(21-12-17)6-4-3-5-15(19)13-7-9-14(18)10-8-13/h7-10,16H,3-6,11-12H2,1-2H3
【InChIKey】
InChIKey=AWARKPZQJWZYMI-UHFFFAOYSA-N
【SMILES】
CC1(COC(OC1)CCCCC(=O)c2ccc(cc2)Br)C
【MOL File】
4'-BROMO-5-(5,5-DIME….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4'-BROMO-5-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)VALEROPHENONE.cml