4-carbonochloridoyl-3-hydroxybenzoic acid

C8H5ClO4 — CID 21397011

IUPAC4-carbonochloridoyl-3-hydroxybenzoic acid
SMILESO=C(O)c1ccc(C(=O)Cl)c(O)c1
InChIInChI=1S/C8H5ClO4/c9-7(11)5-2-1-4(8(12)13)3-6(5)10/h1-3,10H,(H,12,13)
InChIKeyAFPCHALGYFSZJO-UHFFFAOYSA-N
MW200.58 g/mol
LogP1.47
Rot. Bonds2

About 4-carbonochloridoyl-3-hydroxybenzoic acid

4-carbonochloridoyl-3-hydroxybenzoic acid (PubChem CID 21397011) has the molecular formula C8H5ClO4 and a molecular weight of 200.58 g/mol. Its IUPAC name is 4-carbonochloridoyl-3-hydroxybenzoic acid.

Molecular Properties

Compound Name4-carbonochloridoyl-3-hydroxybenzoic acid
PubChem CID21397011
Molecular FormulaC8H5ClO4
Molecular Weight200.58 g/mol
Exact Mass199.99
IUPAC Name4-carbonochloridoyl-3-hydroxybenzoic acid
SMILESO=C(O)c1ccc(C(=O)Cl)c(O)c1
InChIInChI=1S/C8H5ClO4/c9-7(11)5-2-1-4(8(12)13)3-6(5)10/h1-3,10H,(H,12,13)
InChIKeyAFPCHALGYFSZJO-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

3-carbonochloridoyl-4-hydroxybenzoic acid
CID 21396972
4-hydroxybenzoic acid;2-hydroxyterephthalic acid
CID 174971569
4-(2-bromoacetyl)-3-hydroxybenzoic acid
CID 91882570
benzene;3,4-dihydroxybenzoic acid
CID 175073097
bis(3,4-dihydroxybenzoic acid);zirconium
CID 23558402
4-hydroxybenzene-1,3-dicarboxylic acid
CID 161113247
4-carbonochloridoylphthalic acid
CID 15105982
(4-carbonochloridoyl-3-hydroxyphenyl) carbonochloridate
CID 21396971
3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbamoyl]benzoic acid
CID 89159084
benzene-1,2,4-tricarboxylic acid;dihydrate
CID 70292833
2,4-dihydroxybenzoic acid
CID 1491
calcium bis(4-carboxy-2-hydroxyphenolate)
CID 68865132

Frequently Asked Questions

What is the IUPAC name of 4-carbonochloridoyl-3-hydroxybenzoic acid?
The IUPAC name of 4-carbonochloridoyl-3-hydroxybenzoic acid (CID 21397011) is 4-carbonochloridoyl-3-hydroxybenzoic acid.
What is the SMILES notation for 4-carbonochloridoyl-3-hydroxybenzoic acid?
The canonical SMILES for 4-carbonochloridoyl-3-hydroxybenzoic acid is O=C(O)c1ccc(C(=O)Cl)c(O)c1.
What is the InChIKey of 4-carbonochloridoyl-3-hydroxybenzoic acid?
The InChIKey is AFPCHALGYFSZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClO4/c9-7(11)5-2-1-4(8(12)13)3-6(5)10/h1-3,10H,(H,12,13).
What are the key properties of 4-carbonochloridoyl-3-hydroxybenzoic acid?
4-carbonochloridoyl-3-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 4-carbonochloridoyl-3-hydroxybenzoic acid is sourced from PubChem (CID 21397011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).