Chemical ID: 4115737

c1c(c(c(c(c1F)F)F)F)C(=O)O
Chemical ID:
4115737
Name [?]:
2,3,4,5-tetrafluorobenzoic acid
SMILES [?]:
c1c(c(c(c(c1F)F)F)F)C(=O)O
InChi [?]:
InChI=1/C7H2F4O2/c8-3-1-2(7(12)13)4(9)6(11)5(3)10/h1H,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,4,11,7,10,8,9,12,13/E:(12,13)/rA:13nCCCCCCFFFFCOO/rB:s1;d2;s3;d4;d1s5;s6;s5;s4;s3;s2;d11;s11;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H2F4O2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:1.59717
Area:296.019
Solvation:-5.8033
Coulombic:-37.0031
Bond Count [?]
All:13
Single:9
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:194.083
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.28
LogP (Chemaxon):2.12

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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