561-43-3
羟吡溴铵
Name
羟吡溴铵
pro_formula
C21 H32 N O3 . Br
pro_molWeight
426.392
1Identification
【Name】
羟吡溴铵
【CAS】
【MDL】
MFCD00865217
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C21 H32 N O3 . Br
【pro_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】
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:4
XLogP3:1.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
羟吡溴铵.cml
quick_release
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ACC Corporation
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