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50-10-2
OXYPHENONIUM BROMIDE
Name
OXYPHENONIUM BROMIDE
Formula
C21 H34 N O3 . Br
MolWeight
428.408
1Identification
【Name】
OXYPHENONIUM BROMIDE
【CAS】
【MDL】
MFCD00050259
【English Synonyms】
【Formula】
C21 H34 N O3 . Br
【MolWeight】
428.408
【Inchi】
InChI=1S/C21H34NO3.BrH/c1-4-22(3,5-2)16-17-25-20(23)21(24,18-12-8-6-9-13-18)19-14-10-7-11-15-19;/h6,8-9,12-13,19,24H,4-5,7,10-11,14-17H2,1-3H3;1H/q+1;/p-1
【InChIKey】
InChIKey=UKLQXHUGTKWPSR-UHFFFAOYSA-M
【SMILES】
CC[N+](C)(CC)CCOC(=O)C(c1ccccc1)(C2CCCCC2)O.[Br-]
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
OXYPHENONIUM BROMIDE.cml
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