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Chemical ID: 4115737
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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