Chemical ID: 7331462

COC(=O)c1cc(c(c(c1Cl)Cl)Cl)Cl
Chemical ID:
7331462
Name [?]:
methyl 2,3,4,5-tetrachlorobenzoate
SMILES [?]:
COC(=O)c1cc(c(c(c1Cl)Cl)Cl)Cl
InChi [?]:
InChI=1/C8H4Cl4O2/c1-14-8(13)3-2-4(9)6(11)7(12)5(3)10/h2H,1H3
InChi Info:
AuxInfo=1/0/N:1,6,5,7,10,8,9,3,14,11,13,12,4,2/rA:14nCOCOCCCCCCClClClCl/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s10;s9;s8;s7;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H4Cl4O2
All Atoms:18
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:8.13023
Area:404.436
Solvation:-1.98067
Coulombic:-19.6406
Bond Count [?]
All:14
Single:10
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:273.927
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.45
LogP (Chemaxon):3.67

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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