Chemical ID: 4727962

c1cc(ccc1CCl)C(=O)Oc2cc(cc(c2)C(F)(F)F)C(F)(F)F
Chemical ID:
4727962
Name [?]:
[3,5-bis(trifluoromethyl)phenyl] 4-(chloromethyl)benzoate
SMILES [?]:
c1cc(ccc1CCl)C(=O)Oc2cc(cc(c2)C(F)(F)F)C(F)(F)F
InChi [?]:
InChI=1/C16H9ClF6O2/c17-8-9-1-3-10(4-2-9)14(24)25-13-6-11(15(18,19)20)5-12(7-13)16(21,22)23/h1-7H,8H2
InChi Info:
AuxInfo=1/0/N:1,5,2,4,15,13,17,7,6,3,14,16,12,9,22,18,8,23,24,25,19,20,21,10,11/E:(1,2)(3,4)(6,7)(11,12)(15,16)(18,19,20,21,22,23)/rA:25nCCCCCCCClCOOCCCCCCCFFFCFFF/rB:s1;d2;s3;d4;d1s5;s6;s7;s3;d9;s9;s11;s12;d13;s14;d15;d12s16;s16;s18;s18;s18;s14;s22;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H9ClF6O2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.73614
Area:531.819
Solvation:-3.55933
Coulombic:-57.4628
Bond Count [?]
All:26
Single:19
Double:7
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:382.685
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.84
LogP (Chemaxon):5.65

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue