3-carbonochloridoyl-4-hydroxybenzoic acid

C8H5ClO4 — CID 21396972

IUPAC3-carbonochloridoyl-4-hydroxybenzoic acid
SMILESO=C(O)c1ccc(O)c(C(=O)Cl)c1
InChIInChI=1S/C8H5ClO4/c9-7(11)5-3-4(8(12)13)1-2-6(5)10/h1-3,10H,(H,12,13)
InChIKeyBPJRRMUEWCOEQP-UHFFFAOYSA-N
MW200.58 g/mol
LogP1.47
Rot. Bonds2

About 3-carbonochloridoyl-4-hydroxybenzoic acid

3-carbonochloridoyl-4-hydroxybenzoic acid (PubChem CID 21396972) has the molecular formula C8H5ClO4 and a molecular weight of 200.58 g/mol. Its IUPAC name is 3-carbonochloridoyl-4-hydroxybenzoic acid.

Molecular Properties

Compound Name3-carbonochloridoyl-4-hydroxybenzoic acid
PubChem CID21396972
Molecular FormulaC8H5ClO4
Molecular Weight200.58 g/mol
Exact Mass199.99
IUPAC Name3-carbonochloridoyl-4-hydroxybenzoic acid
SMILESO=C(O)c1ccc(O)c(C(=O)Cl)c1
InChIInChI=1S/C8H5ClO4/c9-7(11)5-3-4(8(12)13)1-2-6(5)10/h1-3,10H,(H,12,13)
InChIKeyBPJRRMUEWCOEQP-UHFFFAOYSA-N
XLogP1.47
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.58
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxybenzene-1,3-dicarboxylic acid
CID 161113247
4-carbonochloridoyl-3-hydroxybenzoic acid
CID 21397011
benzene;3,4-dihydroxybenzoic acid
CID 175073097
bis(3,4-dihydroxybenzoic acid);zirconium
CID 23558402
4-carbonochloridoylphthalic acid
CID 15105982
3-amino-4-hydroxybenzoic acid
CID 161134080
benzene-1,2,4-tricarboxylic acid;dihydrate
CID 70292833
2-hydroxy-5-(trifluoromethoxy)benzoyl chloride
CID 134639003
4-[3-(2,4-dicarboxyphenyl)-2,4-dihydroxyphenyl]benzene-1,3-dicarboxylic acid
CID 154412145
5-(3-carboxyphenyl)-2-hydroxybenzoic acid
CID 102139788
5-[1-(2,5-dihydroxyphenyl)ethenyl]-2-hydroxybenzoic acid
CID 90286784
2-hydroxybenzoic acid;hypochlorous acid
CID 68579561

Frequently Asked Questions

What is the IUPAC name of 3-carbonochloridoyl-4-hydroxybenzoic acid?
The IUPAC name of 3-carbonochloridoyl-4-hydroxybenzoic acid (CID 21396972) is 3-carbonochloridoyl-4-hydroxybenzoic acid.
What is the SMILES notation for 3-carbonochloridoyl-4-hydroxybenzoic acid?
The canonical SMILES for 3-carbonochloridoyl-4-hydroxybenzoic acid is O=C(O)c1ccc(O)c(C(=O)Cl)c1.
What is the InChIKey of 3-carbonochloridoyl-4-hydroxybenzoic acid?
The InChIKey is BPJRRMUEWCOEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClO4/c9-7(11)5-3-4(8(12)13)1-2-6(5)10/h1-3,10H,(H,12,13).
What are the key properties of 3-carbonochloridoyl-4-hydroxybenzoic acid?
3-carbonochloridoyl-4-hydroxybenzoic acid has a molecular weight of 200.58 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbonochloridoyl-4-hydroxybenzoic acid is sourced from PubChem (CID 21396972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).