Chemical ID: 4117418

c1c(cc(cc1F)F)CC(=O)O
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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Descriptor Annotations

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