Chemical ID: 6723891

COc1ccc(cc1F)C(=O)[O-]
Chemical ID:
6723891
Name [?]:
3-fluoro-4-methoxy-benzoate
SMILES [?]:
COc1ccc(cc1F)C(=O)[O-]
InChi [?]:
InChI=1/C8H7FO3/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4H,1H3,(H,10,11)/p-1
InChi Info:
AuxInfo=1/1/N:1,5,4,7,6,8,3,10,9,11,12,2/E:(10,11)/rA:12nCOCCCCCCFCOO-/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s6;d10;s10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H6FO3-
All Atoms:18
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:-35.0058
Area:313.639
Solvation:-42.8468
Coulombic:-14.0423
Bond Count [?]
All:12
Single:8
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:169.13
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.23
LogP (Chemaxon):1.45

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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