ChemDB: Chemical Search
Download
Chemical ID: 5566715
Chemical ID:
5566715
Name [?]:
6-amino-2-chloro-3-fluoro-benzoic acid
SMILES [?]:
c1cc(c(c(c1N)C(=O)O)Cl)F
InChi [?]:
InChI=1/C7H5ClFNO2/c8-6-3(9)1-2-4(10)5(6)7(11)12/h1-2H,10H2,(H,11,12)
InChi Info:
AuxInfo=1/1/N:2,1,3,6,5,4,8,11,12,7,9,10/E:(11,12)/rA:12nCCCCCCNCOOClF/rB:s1;d2;s3;d4;d1s5;s6;s5;d8;s8;s4;s3;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H5ClFNO2 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.41078 |
Area: | 319.535 |
Solvation: | -2.5776 |
Coulombic: | -46.7398 |
Bond Count [?]
All: | 12 |
Single: | 8 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 189.571 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | 2.25 |
LogP (Chemaxon): | 2.09 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|