Chemical ID: 3969860

COC(=O)c1cc(ccc1Cl)Cl
Chemical ID:
3969860
Name [?]:
methyl 2,5-dichlorobenzoate
SMILES [?]:
COC(=O)c1cc(ccc1Cl)Cl
InChi [?]:
InChI=1/C8H6Cl2O2/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4H,1H3
InChi Info:
AuxInfo=1/0/N:1,8,9,6,7,5,10,3,12,11,4,2/rA:12nCOCOCCCCCCClCl/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s10;s7;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H6Cl2O2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:7.24446
Area:356.577
Solvation:-1.66997
Coulombic:-20.6008
Bond Count [?]
All:12
Single:8
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:205.037
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.2
LogP (Chemaxon):2.63

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Experimental Annotations

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Descriptor Annotations

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