Chemical ID: 4407188

c1cc(cc(c1)Oc2ccc(cc2C(F)(F)F)[N+](=O)[O-])C(=O)O
Chemical ID:
4407188
Name [?]:
3-[4-nitro-2-(trifluoromethyl)phenoxy]benzoic acid
SMILES [?]:
c1cc(cc(c1)Oc2ccc(cc2C(F)(F)F)[N+](=O)[O-])C(=O)O
InChi [?]:
InChI=1/C14H8F3NO5/c15-14(16,17)11-7-9(18(21)22)4-5-12(11)23-10-3-1-2-8(6-10)13(19)20/h1-7H,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,10,9,4,12,3,11,5,13,8,21,14,15,16,17,18,22,23,19,20,7/E:(15,16,17)(19,20)(21,22)/CRV:18.5/rA:23nCCCCCCOCCCCCCCFFFN+OO-COO/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s10;d11;d8s12;s13;s14;s14;s14;s11;d18;s18;s3;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H8F3NO5
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:2.31884
Area:479.195
Solvation:-9.66104
Coulombic:-62.205
Bond Count [?]
All:24
Single:16
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:327.212
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.81
LogP (Chemaxon):3.83

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