6-chlorobenzene-1,2,3,4,5-pentacarboxylic acid

C11H5ClO10 — CID 14009415

IUPAC6-chlorobenzene-1,2,3,4,5-pentacarboxylic acid
SMILESO=C(O)c1c(Cl)c(C(=O)O)c(C(=O)O)c(C(=O)O)c1C(=O)O
InChIInChI=1S/C11H5ClO10/c12-6-4(10(19)20)2(8(15)16)1(7(13)14)3(9(17)18)5(6)11(21)22/h(H,13,14)(H,15,16)(H,17,18)(H,19,20)(H,21,22)
InChIKeyBYMAYQGKYADOOQ-UHFFFAOYSA-N
MW332.60 g/mol
LogP0.83
Rot. Bonds5

About 6-chlorobenzene-1,2,3,4,5-pentacarboxylic acid

6-chlorobenzene-1,2,3,4,5-pentacarboxylic acid (PubChem CID 14009415) has the molecular formula C11H5ClO10 and a molecular weight of 332.60 g/mol. Its IUPAC name is 6-chlorobenzene-1,2,3,4,5-pentacarboxylic acid.

Molecular Properties

Compound Name6-chlorobenzene-1,2,3,4,5-pentacarboxylic acid
PubChem CID14009415
Molecular FormulaC11H5ClO10
Molecular Weight332.60 g/mol
Exact Mass331.96
IUPAC Name6-chlorobenzene-1,2,3,4,5-pentacarboxylic acid
SMILESO=C(O)c1c(Cl)c(C(=O)O)c(C(=O)O)c(C(=O)O)c1C(=O)O
InChIInChI=1S/C11H5ClO10/c12-6-4(10(19)20)2(8(15)16)1(7(13)14)3(9(17)18)5(6)11(21)22/h(H,13,14)(H,15,16)(H,17,18)(H,19,20)(H,21,22)
InChIKeyBYMAYQGKYADOOQ-UHFFFAOYSA-N
XLogP0.83
TPSA186.50 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.60
LogP ≤ 50.83
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chlorobenzene-1,2,3,4,5-pentacarboxylic acid?
The IUPAC name of 6-chlorobenzene-1,2,3,4,5-pentacarboxylic acid (CID 14009415) is 6-chlorobenzene-1,2,3,4,5-pentacarboxylic acid.
What is the SMILES notation for 6-chlorobenzene-1,2,3,4,5-pentacarboxylic acid?
The canonical SMILES for 6-chlorobenzene-1,2,3,4,5-pentacarboxylic acid is O=C(O)c1c(Cl)c(C(=O)O)c(C(=O)O)c(C(=O)O)c1C(=O)O.
What is the InChIKey of 6-chlorobenzene-1,2,3,4,5-pentacarboxylic acid?
The InChIKey is BYMAYQGKYADOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5ClO10/c12-6-4(10(19)20)2(8(15)16)1(7(13)14)3(9(17)18)5(6)11(21)22/h(H,13,14)(H,15,16)(H,17,18)(H,19,20)(H,21,22).
What are the key properties of 6-chlorobenzene-1,2,3,4,5-pentacarboxylic acid?
6-chlorobenzene-1,2,3,4,5-pentacarboxylic acid has a molecular weight of 332.60 g/mol, XLogP of 0.83, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chlorobenzene-1,2,3,4,5-pentacarboxylic acid is sourced from PubChem (CID 14009415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).