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Chemical ID: 5047346
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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