Chemical ID: 5047346

c1c(cc(c(c1Cl)OCCO)Cl)Cl
Chemical ID:
5047346
Name [?]:
2-(2,4,6-trichlorophenoxy)ethanol
SMILES [?]:
c1c(cc(c(c1Cl)OCCO)Cl)Cl
InChi [?]:
InChI=1/C8H7Cl3O2/c9-5-3-6(10)8(7(11)4-5)13-2-1-12/h3-4,12H,1-2H2
InChi Info:
AuxInfo=1/0/N:10,9,1,3,2,6,4,5,13,7,12,11,8/E:(3,4)(6,7)(10,11)/rA:13nCCCCCCClOCCOClCl/rB:s1;d2;s3;d4;d1s5;s6;s5;s8;s9;s10;s4;s2;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H7Cl3O2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:6.25899
Area:389.503
Solvation:-3.47857
Coulombic:-24.9083
Bond Count [?]
All:13
Single:10
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:241.498
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.09
LogP (Chemaxon):2.9

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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