561-43-3
OXYPYRRONIUM BROMIDE
Name
OXYPYRRONIUM BROMIDE
Formula
C21 H32 N O3 . Br
MolWeight
426.392
1Identification
【Name】
OXYPYRRONIUM BROMIDE
【CAS】
【MDL】
MFCD00865217
【English Synonyms】
【Formula】
C21 H32 N O3 . Br
【MolWeight】
426.392
【Inchi】
InChI=1S/C21H32NO3.BrH/c1-22(2)15-9-14-19(22)16-25-20(23)21(24,17-10-5-3-6-11-17)18-12-7-4-8-13-18;/h3,5-6,10-11,18-19,24H,4,7-9,12-16H2,1-2H3;1H/q+1;/p-1
【InChIKey】
InChIKey=SXGOKQARVJHRML-UHFFFAOYSA-M
【SMILES】
C[N+]1(CCCC1COC(=O)C(c2ccccc2)(C3CCCCC3)O)C.[Br-]
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
OXYPYRRONIUM BROMIDE.cml
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Catalog No:561-43-3 up to kgs
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ACC Corporation
Catalog No:CHM0312776 5MG
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Alfa Chemistry
Catalog No:ACM561433 nullnull
Catalog No:ATM561433 up to kgs
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Youchemicals Limited
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