2,3-dichloro-5-formylbenzoic acid

C8H4Cl2O3 — CID 171006374

IUPAC2,3-dichloro-5-formylbenzoic acid
SMILESO=Cc1cc(Cl)c(Cl)c(C(=O)O)c1
InChIInChI=1S/C8H4Cl2O3/c9-6-2-4(3-11)1-5(7(6)10)8(12)13/h1-3H,(H,12,13)
InChIKeyBCKSRUILISNEDN-UHFFFAOYSA-N
MW219.02 g/mol
LogP2.50
Rot. Bonds2

About 2,3-dichloro-5-formylbenzoic acid

2,3-dichloro-5-formylbenzoic acid (PubChem CID 171006374) has the molecular formula C8H4Cl2O3 and a molecular weight of 219.02 g/mol. Its IUPAC name is 2,3-dichloro-5-formylbenzoic acid.

Molecular Properties

Compound Name2,3-dichloro-5-formylbenzoic acid
PubChem CID171006374
Molecular FormulaC8H4Cl2O3
Molecular Weight219.02 g/mol
Exact Mass217.95
IUPAC Name2,3-dichloro-5-formylbenzoic acid
SMILESO=Cc1cc(Cl)c(Cl)c(C(=O)O)c1
InChIInChI=1S/C8H4Cl2O3/c9-6-2-4(3-11)1-5(7(6)10)8(12)13/h1-3H,(H,12,13)
InChIKeyBCKSRUILISNEDN-UHFFFAOYSA-N
XLogP2.50
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.02
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3-dichloro-5-fluorobenzoic acid
CID 19013031
2,4,5-trichloro-3-fluorobenzoic acid
CID 23173056
5-formyl-2-hydroxy-3-methylbenzoic acid
CID 158743279
3-acetyl-5-chloro-4-methoxybenzaldehyde
CID 171002136
3-chloro-4,5-dihydroxybenzaldehyde
CID 2468182
3-acetyl-4-chloro-5-methylbenzaldehyde
CID 171003796
2-chlorobenzene-1,3,5-tricarboxylic acid
CID 70547954
3,4-dichloro-5-methoxybenzaldehyde
CID 21483929
2,3,5-trichloro-4-hydroxybenzoic acid
CID 23600077
ethyl 2-(2,3-dichloro-5-formylphenyl)acetate
CID 171006430
5-bromo-4,6-dichlorobenzene-1,3-dicarboxylic acid
CID 21417330
3-bromo-2-cyano-5-formylbenzoic acid
CID 121227727

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-5-formylbenzoic acid?
The IUPAC name of 2,3-dichloro-5-formylbenzoic acid (CID 171006374) is 2,3-dichloro-5-formylbenzoic acid.
What is the SMILES notation for 2,3-dichloro-5-formylbenzoic acid?
The canonical SMILES for 2,3-dichloro-5-formylbenzoic acid is O=Cc1cc(Cl)c(Cl)c(C(=O)O)c1.
What is the InChIKey of 2,3-dichloro-5-formylbenzoic acid?
The InChIKey is BCKSRUILISNEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2O3/c9-6-2-4(3-11)1-5(7(6)10)8(12)13/h1-3H,(H,12,13).
What are the key properties of 2,3-dichloro-5-formylbenzoic acid?
2,3-dichloro-5-formylbenzoic acid has a molecular weight of 219.02 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-5-formylbenzoic acid is sourced from PubChem (CID 171006374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).