Chemical ID: 4122560

c1cc(c(c(c1)Cl)F)C(=O)O
Chemical ID:
4122560
Name [?]:
3-chloro-2-fluoro-benzoic acid
SMILES [?]:
c1cc(c(c(c1)Cl)F)C(=O)O
InChi [?]:
InChI=1/C7H4ClFO2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,4,9,7,8,10,11/E:(10,11)/rA:11nCCCCCCClFCOO/rB:s1;d2;s3;d4;d1s5;s5;s4;s3;d9;s9;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H4ClFO2
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:4.97155
Area:308.872
Solvation:-2.75025
Coulombic:-31.0873
Bond Count [?]
All:11
Single:7
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:174.557
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.42
LogP (Chemaxon):2.22

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Descriptor Annotations

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