PW1

[2,4-bis(fluoranyl)-3-phenoxy-phenyl]methylazanium

Created:2012-08-16
Last modified:  2014-09-05

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Chemical Details

Formal Charge1
Atom Count29
Chiral Atom Count0
Bond Count30
Aromatic Bond Count12
2D diagram of PW1

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Chemical Component Summary

Name[2,4-bis(fluoranyl)-3-phenoxy-phenyl]methylazanium
Systematic Name (OpenEye OEToolkits)[2,4-bis(fluoranyl)-3-phenoxy-phenyl]methylazanium
FormulaC13 H12 F2 N O
Molecular Weight236.237
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Fc2c(ccc(F)c2Oc1ccccc1)C[NH3+]
SMILESCACTVS3.385[NH3+]Cc1ccc(F)c(Oc2ccccc2)c1F
SMILESOpenEye OEToolkits1.9.2c1ccc(cc1)Oc2c(ccc(c2F)C[NH3+])F
Canonical SMILESCACTVS3.385 [NH3+]Cc1ccc(F)c(Oc2ccccc2)c1F
Canonical SMILESOpenEye OEToolkits1.9.2 c1ccc(cc1)Oc2c(ccc(c2F)C[NH3+])F
InChIInChI1.03 InChI=1S/C13H11F2NO/c14-11-7-6-9(8-16)12(15)13(11)17-10-4-2-1-3-5-10/h1-7H,8,16H2/p+1
InChIKeyInChI1.03 OPHNCLQYKIKHON-UHFFFAOYSA-O

Related Resource References

Resource NameReference
PubChem 60196225