Chemical ID: 7044031

c1ccc(cc1)OC(=O)c2c(c(c(c(c2F)F)F)F)F
Chemical ID:
7044031
Name [?]:
phenyl 2,3,4,5,6-pentafluorobenzoate
SMILES [?]:
c1ccc(cc1)OC(=O)c2c(c(c(c(c2F)F)F)F)F
InChi [?]:
InChI=1/C13H5F5O2/c14-8-7(9(15)11(17)12(18)10(8)16)13(19)20-6-4-2-1-3-5-6/h1-5H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,4,10,11,15,12,14,13,8,20,16,19,17,18,9,7/E:(2,3)(4,5)(8,9)(10,11)(14,15)(16,17)/rA:20nCCCCCCOCOCCCCCCFFFFF/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;d11;s12;d13;d10s14;s15;s14;s13;s12;s11;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H5F5O2
All Atoms:25
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:3.9885
Area:412.098
Solvation:-6.31394
Coulombic:-31.6745
Bond Count [?]
All:21
Single:14
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:288.17
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.33
LogP (Chemaxon):3.97

Name Annotations

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Descriptor Annotations

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