Chemical ID: 6704171

c1ccc(c(c1)C(=O)[O-])Nc2cccc(c2)C(F)(F)F
Chemical ID:
6704171
Name [?]:
2-[3-(trifluoromethyl)phenyl]aminobenzoate
SMILES [?]:
c1ccc(c(c1)C(=O)[O-])Nc2cccc(c2)C(F)(F)F
InChi [?]:
InChI=1/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,13,14,12,6,3,16,15,11,5,4,7,17,18,19,20,10,8,9/E:(15,16,17)(19,20)/rA:20nCCCCCCCOO-NCCCCCCCFFF/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s4;s10;s11;d12;s13;d14;d11s15;s15;s17;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H9F3NO2-
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:-31.597
Area:420.487
Solvation:-42.1092
Coulombic:-29.4784
Bond Count [?]
All:21
Single:14
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:280.222
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.94
LogP (Chemaxon):4.35

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