Chemical ID: 6339121

COC(=O)c1c(cccc1Cl)F
Chemical ID:
6339121
Name [?]:
methyl 2-chloro-6-fluoro-benzoate
SMILES [?]:
COC(=O)c1c(cccc1Cl)F
InChi [?]:
InChI=1/C8H6ClFO2/c1-12-8(11)7-5(9)3-2-4-6(7)10/h2-4H,1H3
InChi Info:
AuxInfo=1/0/N:1,8,9,7,10,6,5,3,11,12,4,2/rA:12nCOCOCCCCCCClF/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s10;s6;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H6ClFO2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:5.81129
Area:329.965
Solvation:-2.43783
Coulombic:-23.3565
Bond Count [?]
All:12
Single:8
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:188.583
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.74
LogP (Chemaxon):2.25

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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