Chemical ID: 4736603

c1cc(c(cc1C(=O)O)OC(F)(F)F)N
Chemical ID:
4736603
Name [?]:
4-amino-3-(trifluoromethoxy)benzoic acid
SMILES [?]:
c1cc(c(cc1C(=O)O)OC(F)(F)F)N
InChi [?]:
InChI=1/C8H6F3NO3/c9-8(10,11)15-6-3-4(7(13)14)1-2-5(6)12/h1-3H,12H2,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,5,6,3,4,7,11,12,13,14,15,8,9,10/E:(9,10,11)(13,14)/rA:15nCCCCCCCOOOCFFFN/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s4;s10;s11;s11;s11;s3;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H6F3NO3
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:6.48683
Area:342.215
Solvation:-2.06856
Coulombic:-75.8955
Bond Count [?]
All:15
Single:11
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:221.133
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:1.99
LogP (Chemaxon):1.43

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Descriptor Annotations

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