Chemical ID: 5805907

c1cc(ccc1C=O)Oc2ccc(cc2C(F)(F)F)[N+](=O)[O-]
Chemical ID:
5805907
Name [?]:
4-[4-nitro-2-(trifluoromethyl)phenoxy]benzaldehyde
SMILES [?]:
c1cc(ccc1C=O)Oc2ccc(cc2C(F)(F)F)[N+](=O)[O-]
InChi [?]:
InChI=1/C14H8F3NO4/c15-14(16,17)12-7-10(18(20)21)3-6-13(12)22-11-4-1-9(8-19)2-5-11/h1-8H
InChi Info:
AuxInfo=1/0/N:1,5,12,2,4,11,14,7,6,13,3,15,10,16,17,18,19,20,8,21,22,9/E:(1,2)(4,5)(15,16,17)(20,21)/CRV:18.5/rA:22nCCCCCCCOOCCCCCCCFFFN+OO-/rB:s1;d2;s3;d4;d1s5;s6;d7;s3;s9;s10;d11;s12;d13;d10s14;s15;s16;s16;s16;s13;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H8F3NO4
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:1.36793
Area:464.038
Solvation:-10.233
Coulombic:-41.7988
Bond Count [?]
All:23
Single:15
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:311.213
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.89
LogP (Chemaxon):3.99

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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