2-(5-boronooxy-2-chlorophenyl)acetic acid

C8H8BClO5 — CID 153409389

IUPAC2-(5-boronooxy-2-chlorophenyl)acetic acid
SMILESO=C(O)Cc1cc(OB(O)O)ccc1Cl
InChIInChI=1S/C8H8BClO5/c10-7-2-1-6(15-9(13)14)3-5(7)4-8(11)12/h1-3,13-14H,4H2,(H,11,12)
InChIKeySTGVZNOZCKPQOO-UHFFFAOYSA-N
MW230.41 g/mol
LogP0.32
Rot. Bonds4

About 2-(5-boronooxy-2-chlorophenyl)acetic acid

2-(5-boronooxy-2-chlorophenyl)acetic acid (PubChem CID 153409389) has the molecular formula C8H8BClO5 and a molecular weight of 230.41 g/mol. Its IUPAC name is 2-(5-boronooxy-2-chlorophenyl)acetic acid.

Molecular Properties

Compound Name2-(5-boronooxy-2-chlorophenyl)acetic acid
PubChem CID153409389
Molecular FormulaC8H8BClO5
Molecular Weight230.41 g/mol
Exact Mass230.02
IUPAC Name2-(5-boronooxy-2-chlorophenyl)acetic acid
SMILESO=C(O)Cc1cc(OB(O)O)ccc1Cl
InChIInChI=1S/C8H8BClO5/c10-7-2-1-6(15-9(13)14)3-5(7)4-8(11)12/h1-3,13-14H,4H2,(H,11,12)
InChIKeySTGVZNOZCKPQOO-UHFFFAOYSA-N
XLogP0.32
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.41
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-boronooxy-2-chlorophenyl)acetic acid?
The IUPAC name of 2-(5-boronooxy-2-chlorophenyl)acetic acid (CID 153409389) is 2-(5-boronooxy-2-chlorophenyl)acetic acid.
What is the SMILES notation for 2-(5-boronooxy-2-chlorophenyl)acetic acid?
The canonical SMILES for 2-(5-boronooxy-2-chlorophenyl)acetic acid is O=C(O)Cc1cc(OB(O)O)ccc1Cl.
What is the InChIKey of 2-(5-boronooxy-2-chlorophenyl)acetic acid?
The InChIKey is STGVZNOZCKPQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BClO5/c10-7-2-1-6(15-9(13)14)3-5(7)4-8(11)12/h1-3,13-14H,4H2,(H,11,12).
What are the key properties of 2-(5-boronooxy-2-chlorophenyl)acetic acid?
2-(5-boronooxy-2-chlorophenyl)acetic acid has a molecular weight of 230.41 g/mol, XLogP of 0.32, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-boronooxy-2-chlorophenyl)acetic acid is sourced from PubChem (CID 153409389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).