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Chemical ID: 4117418
Chemical ID:
4117418
Name [?]:
2-(3,5-difluorophenyl)acetic acid
SMILES [?]:
c1c(cc(cc1F)F)CC(=O)O
InChi [?]:
InChI=1/C8H6F2O2/c9-6-1-5(3-8(11)12)2-7(10)4-6/h1-2,4H,3H2,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,3,9,5,2,6,4,10,7,8,11,12/E:(1,2)(6,7)(9,10)(11,12)/rA:12nCCCCCCFFCCOO/rB:s1;d2;s3;d4;d1s5;s6;s4;s2;s9;d10;s10;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H6F2O2 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.06183 |
Area: | 308.539 |
Solvation: | -3.65164 |
Coulombic: | -32.256 |
Bond Count [?]
All: | 12 |
Single: | 8 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 172.129 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.77 |
LogP (Chemaxon): | 1.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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