Chemical ID: 4117783

c1cc(ccc1c2cc(c(o2)C(F)(F)F)C(=O)O)Cl
Chemical ID:
4117783
Name [?]:
5-(4-chlorophenyl)-2-(trifluoromethyl)furan-3-carboxylic acid
SMILES [?]:
c1cc(ccc1c2cc(c(o2)C(F)(F)F)C(=O)O)Cl
InChi [?]:
InChI=1/C12H6ClF3O3/c13-7-3-1-6(2-4-7)9-5-8(11(17)18)10(19-9)12(14,15)16/h1-5H,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,8,6,3,9,7,10,16,12,19,13,14,15,17,18,11/E:(1,2)(3,4)(14,15,16)(17,18)/rA:19nCCCCCCCCCCOCFFFCOOCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;d9;s7s10;s10;s12;s12;s12;s9;d16;s16;s3;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H6ClF3O3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:7.59681
Area:432.625
Solvation:-3.21882
Coulombic:-54.4113
Bond Count [?]
All:20
Single:14
Double:6
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:290.622
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.75
LogP (Chemaxon):3.36

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