Chemical ID: 7244949

COc1ccc(c(c1)F)C(=O)O
Chemical ID:
7244949
Name [?]:
2-fluoro-4-methoxy-benzoic acid
SMILES [?]:
COc1ccc(c(c1)F)C(=O)O
InChi [?]:
InChI=1/C8H7FO3/c1-12-5-2-3-6(8(10)11)7(9)4-5/h2-4H,1H3,(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,4,5,8,3,6,7,10,9,11,12,2/E:(10,11)/rA:12nCOCCCCCCFCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s6;d10;s10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H7FO3
All Atoms:19
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:3.86772
Area:312.574
Solvation:-3.94663
Coulombic:-36.9226
Bond Count [?]
All:12
Single:8
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:170.138
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.71
LogP (Chemaxon):1.45

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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