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Chemical ID: 5432438
Chemical ID:
5432438
Name [?]:
(4-phenylphenyl) 2,3,4,5-tetrafluorobenzoate
SMILES [?]:
c1ccc(cc1)c2ccc(cc2)OC(=O)c3cc(c(c(c3F)F)F)F
InChi [?]:
InChI=1/C19H10F4O2/c20-15-10-14(16(21)18(23)17(15)22)19(24)25-13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-10H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,8,12,9,11,17,4,7,10,16,18,21,19,20,14,25,22,24,23,15,13/E:(2,3)(4,5)(6,7)(8,9)/rA:25nCCCCCCCCCCCCOCOCCCCCCFFFF/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;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H10F4O2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.62865 |
Area: | 509.276 |
Solvation: | -6.10325 |
Coulombic: | -32.0851 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 346.275 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 6.11 |
LogP (Chemaxon): | 5.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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