Free Chemical Databases
-
[Synonyms]
3-Chloro-2-fluorobenzoic acid
2-Fluoro-3-chlorobenzoic acid
536318_ALDRICH
JRD-0830
NSC190683
ST5407162
TL8001231
161957-55-7
[Structure]
[ Properties Computed from Structure]
Molecular Weight 174.556863 [g/mol] Molecular Formula C7H4ClFO2 XLogP 2.4 H-Bond Donor 1 H-Bond Acceptor 3 Rotatable Bond Count 1 Exact Mass 173.988385 MonoIsotopic Mass 173.988385 Topological Polar Surface Area 37.3 Heavy Atom Count 11 Formal Charge 0 Complexity 163 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 3-chloro-2-fluorobenzoic acid
Canonical SMILES: C1=CC(=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)/f/h10H
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