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Chemical ID: 7044034
Chemical ID:
7044034
Name [?]:
(4-phenylphenyl) 2,3,4,5,6-pentafluorobenzoate
SMILES [?]:
c1ccc(cc1)c2ccc(cc2)OC(=O)c3c(c(c(c(c3F)F)F)F)F
InChi [?]:
InChI=1/C19H9F5O2/c20-14-13(15(21)17(23)18(24)16(14)22)19(25)26-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,8,12,9,11,4,7,10,16,17,21,18,20,19,14,26,22,25,23,24,15,13/E:(2,3)(4,5)(6,7)(8,9)(14,15)(16,17)(20,21)(22,23)/rA:26nCCCCCCCCCCCCOCOCCCCCCFFFFF/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s10;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;s20;s19;s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H9F5O2 |
All Atoms: | 35 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.27345 |
Area: | 518.513 |
Solvation: | -6.68937 |
Coulombic: | -33.0213 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 364.266 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 6.27 |
LogP (Chemaxon): | 5.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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