2,3-dichloro-5-fluorobenzoic acid

C7H3Cl2FO2 — CID 19013031

IUPAC2,3-dichloro-5-fluorobenzoic acid
SMILESO=C(O)c1cc(F)cc(Cl)c1Cl
InChIInChI=1S/C7H3Cl2FO2/c8-5-2-3(10)1-4(6(5)9)7(11)12/h1-2H,(H,11,12)
InChIKeySLWTYJRNTBVPLO-UHFFFAOYSA-N
MW209.00 g/mol
LogP2.83
Rot. Bonds1

About 2,3-dichloro-5-fluorobenzoic acid

2,3-dichloro-5-fluorobenzoic acid (PubChem CID 19013031) has the molecular formula C7H3Cl2FO2 and a molecular weight of 209.00 g/mol. Its IUPAC name is 2,3-dichloro-5-fluorobenzoic acid.

Molecular Properties

Compound Name2,3-dichloro-5-fluorobenzoic acid
PubChem CID19013031
Molecular FormulaC7H3Cl2FO2
Molecular Weight209.00 g/mol
Exact Mass207.95
IUPAC Name2,3-dichloro-5-fluorobenzoic acid
SMILESO=C(O)c1cc(F)cc(Cl)c1Cl
InChIInChI=1S/C7H3Cl2FO2/c8-5-2-3(10)1-4(6(5)9)7(11)12/h1-2H,(H,11,12)
InChIKeySLWTYJRNTBVPLO-UHFFFAOYSA-N
XLogP2.83
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.00
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-fluoro-3-hydroxybenzoic acid
CID 131954804
2-chloro-5-fluoro-3-methylbenzoic acid
CID 53430534
2,4,5-trichloro-3-fluorobenzoic acid
CID 23173056
methyl 2,3-dichloro-5-fluorobenzoate
CID 121228327
2-chloro-4-fluorobenzoic acid;2-chloro-5-fluorobenzoic acid
CID 159908135
2,3-dichloro-5-formylbenzoic acid
CID 171006374
5-fluoro-2-(2,3,4,6-tetrachlorophenyl)benzoic acid
CID 105349853
4,5-dichloro-2-fluoro-3-methylbenzoic acid
CID 155293772
2,5-dichloro-3-fluoro-4-(hydroxymethyl)benzoic acid
CID 130219312
2-(2-chloro-5-fluorophenyl)-5-fluorobenzoic acid
CID 105395623
2-chlorobenzene-1,3,5-tricarboxylic acid
CID 70547954
2,3,5-trichloro-6-fluorobenzoic acid
CID 142663386

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-5-fluorobenzoic acid?
The IUPAC name of 2,3-dichloro-5-fluorobenzoic acid (CID 19013031) is 2,3-dichloro-5-fluorobenzoic acid.
What is the SMILES notation for 2,3-dichloro-5-fluorobenzoic acid?
The canonical SMILES for 2,3-dichloro-5-fluorobenzoic acid is O=C(O)c1cc(F)cc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-5-fluorobenzoic acid?
The InChIKey is SLWTYJRNTBVPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl2FO2/c8-5-2-3(10)1-4(6(5)9)7(11)12/h1-2H,(H,11,12).
What are the key properties of 2,3-dichloro-5-fluorobenzoic acid?
2,3-dichloro-5-fluorobenzoic acid has a molecular weight of 209.00 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-5-fluorobenzoic acid is sourced from PubChem (CID 19013031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).