JTN
1-[4-[3,5-bis(chloranyl)phenyl]-3-fluoranyl-phenyl]cyclopropane-1-carboxylic acid
Created: | 2019-03-27 |
Last modified: | 2019-09-11 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 32 |
Chiral Atom Count | 0 |
Bond Count | 34 |
Aromatic Bond Count | 12 |
Chemical Component Summary | |
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Name | 1-[4-[3,5-bis(chloranyl)phenyl]-3-fluoranyl-phenyl]cyclopropane-1-carboxylic acid |
Systematic Name (OpenEye OEToolkits) | 1-[4-[3,5-bis(chloranyl)phenyl]-3-fluoranyl-phenyl]cyclopropane-1-carboxylic acid |
Formula | C16 H11 Cl2 F O2 |
Molecular Weight | 325.162 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | OC(=O)C1(CC1)c2ccc(c(F)c2)c3cc(Cl)cc(Cl)c3 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1C2(CC2)C(=O)O)F)c3cc(cc(c3)Cl)Cl |
Canonical SMILES | CACTVS | 3.385 | OC(=O)C1(CC1)c2ccc(c(F)c2)c3cc(Cl)cc(Cl)c3 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1C2(CC2)C(=O)O)F)c3cc(cc(c3)Cl)Cl |
InChI | InChI | 1.03 | InChI=1S/C16H11Cl2FO2/c17-11-5-9(6-12(18)8-11)13-2-1-10(7-14(13)19)16(3-4-16)15(20)21/h1-2,5-8H,3-4H2,(H,20,21) |
InChIKey | InChI | 1.03 | DFJGLZRYGZSQOR-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 11674243 |