Chemical ID: 6685206

CC(=O)OC(c1ccc(c(c1)Cl)Cl)C(Cl)(Cl)Cl
Chemical ID:
6685206
Name [?]:
[2,2,2-trichloro-1-(3,4-dichlorophenyl)-ethyl] acetate
SMILES [?]:
CC(=O)OC(c1ccc(c(c1)Cl)Cl)C(Cl)(Cl)Cl
InChi [?]:
InChI=1/C10H7Cl5O2/c1-5(16)17-9(10(13,14)15)6-2-3-7(11)8(12)4-6/h2-4,9H,1H3
InChi Info:
AuxInfo=1/0/N:1,7,8,11,2,6,9,10,5,14,13,12,15,16,17,3,4/E:(13,14,15)/rA:17cCCOOCCCCCCCClClCClClCl/rB:s1;d2;s2;s4;s5;s6;d7;s8;d9;d6s10;s10;s9;s5;s14;s14;s14;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H7Cl5O2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:9.94325
Area:466.424
Solvation:-1.71735
Coulombic:-23.2145
Bond Count [?]
All:17
Single:13
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:336.425
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.13
LogP (Chemaxon):4.28

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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