Chemical ID: 4697018

c1cc(cc(c1)Oc2c(cc(cn2)C(F)(F)F)Cl)O
Chemical ID:
4697018
Name [?]:
3-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]oxy]phenol
SMILES [?]:
c1cc(cc(c1)Oc2c(cc(cn2)C(F)(F)F)Cl)O
InChi [?]:
InChI=1/C12H7ClF3NO2/c13-10-4-7(12(14,15)16)6-17-11(10)19-9-3-1-2-8(18)5-9/h1-6,18H
InChi Info:
AuxInfo=1/0/N:1,2,6,10,4,12,11,3,5,9,8,14,18,15,16,17,13,19,7/E:(14,15,16)/rA:19nCCCCCCOCCCCCNCFFFClO/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s10;d11;d8s12;s11;s14;s14;s14;s9;s3;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H7ClF3NO2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:7.30265
Area:428.378
Solvation:-3.40681
Coulombic:-48.0551
Bond Count [?]
All:20
Single:14
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:289.637
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.12
LogP (Chemaxon):3.98

Name Annotations

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Descriptor Annotations

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