Chemical ID: 5566715

c1cc(c(c(c1N)C(=O)O)Cl)F
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

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Descriptor Annotations

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