4-chlorophthalic acid

C8H5ClO4 — CID 6964

IUPAC4-chlorophthalic acid
SMILESO=C(O)c1ccc(Cl)cc1C(=O)O
InChIInChI=1S/C8H5ClO4/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3H,(H,10,11)(H,12,13)
InChIKeyDVIPPHSQIBKWSA-UHFFFAOYSA-N
MW200.58 g/mol
LogP1.74
Rot. Bonds2

About 4-chlorophthalic acid

4-chlorophthalic acid (PubChem CID 6964) has the molecular formula C8H5ClO4 and a molecular weight of 200.58 g/mol. Its IUPAC name is 4-chlorophthalic acid.

Molecular Properties

Compound Name4-chlorophthalic acid
PubChem CID6964
Molecular FormulaC8H5ClO4
Molecular Weight200.58 g/mol
Exact Mass199.99
IUPAC Name4-chlorophthalic acid
SMILESO=C(O)c1ccc(Cl)cc1C(=O)O
InChIInChI=1S/C8H5ClO4/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3H,(H,10,11)(H,12,13)
InChIKeyDVIPPHSQIBKWSA-UHFFFAOYSA-N
XLogP1.74
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.58
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Phthalic Acid
CID 1017
4-Chlorobenzoic Acid
CID 6318
2-Chlorobenzoic Acid
CID 8374
3,5-Dichlorobenzoic acid
CID 5811
3-Chlorobenzoic Acid
CID 447
m-Chloroperbenzoic acid
CID 70297
3,4-Dichlorobenzoic acid
CID 5817
Potassium hydrogen phthalate
CID 23676735
2-(4'-Chlorobenzoyl)benzoic acid
CID 66564
Sodium p-chlorobenzoate
CID 23691027
3-Chloro-2-methylbenzoic acid
CID 82010
Monoperoxyphthalic acid
CID 75329

Frequently Asked Questions

What is the IUPAC name of 4-chlorophthalic acid?
The IUPAC name of 4-chlorophthalic acid (CID 6964) is 4-chlorophthalic acid.
What is the SMILES notation for 4-chlorophthalic acid?
The canonical SMILES for 4-chlorophthalic acid is O=C(O)c1ccc(Cl)cc1C(=O)O.
What is the InChIKey of 4-chlorophthalic acid?
The InChIKey is DVIPPHSQIBKWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClO4/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3H,(H,10,11)(H,12,13).
What are the key properties of 4-chlorophthalic acid?
4-chlorophthalic acid has a molecular weight of 200.58 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chlorophthalic acid is sourced from PubChem (CID 6964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).