QZ1

2-fluoro-6-[(3-hexylphenyl)amino]benzoic acid

Created:2020-01-15
Last modified:  2020-04-15

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Chemical Details

Formal Charge0
Atom Count45
Chiral Atom Count0
Bond Count46
Aromatic Bond Count12
2D diagram of QZ1

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Chemical Component Summary

Name2-fluoro-6-[(3-hexylphenyl)amino]benzoic acid
Systematic Name (OpenEye OEToolkits)2-fluoranyl-6-[(3-hexylphenyl)amino]benzoic acid
FormulaC19 H22 F N O2
Molecular Weight315.382
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1cc(c(c(F)c1)C(O)=O)Nc2cccc(c2)CCCCCC
SMILESCACTVS3.385CCCCCCc1cccc(Nc2cccc(F)c2C(O)=O)c1
SMILESOpenEye OEToolkits2.0.7CCCCCCc1cccc(c1)Nc2cccc(c2C(=O)O)F
Canonical SMILESCACTVS3.385 CCCCCCc1cccc(Nc2cccc(F)c2C(O)=O)c1
Canonical SMILESOpenEye OEToolkits2.0.7 CCCCCCc1cccc(c1)Nc2cccc(c2C(=O)O)F
InChIInChI1.03 InChI=1S/C19H22FNO2/c1-2-3-4-5-8-14-9-6-10-15(13-14)21-17-12-7-11-16(20)18(17)19(22)23/h6-7,9-13,21H,2-5,8H2,1H3,(H,22,23)
InChIKeyInChI1.03 QLXYHXDPYBBBIM-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 146019263