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Chemical ID: 7244949
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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