Chemical ID: 5432438

c1ccc(cc1)c2ccc(cc2)OC(=O)c3cc(c(c(c3F)F)F)F
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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Descriptor Annotations

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