4-chloro-3-hydroxybenzoic acid;tribromoborane

C7H5BBr3ClO3 — CID 157084647

IUPAC4-chloro-3-hydroxybenzoic acid;tribromoborane
SMILESBrB(Br)Br.O=C(O)c1ccc(Cl)c(O)c1
InChIInChI=1S/C7H5ClO3.BBr3/c8-5-2-1-4(7(10)11)3-6(5)9;2-1(3)4/h1-3,9H,(H,10,11);
InChIKeyADYJXVBRMQUSDV-UHFFFAOYSA-N
MW423.09 g/mol
LogP3.90
Rot. Bonds1

About 4-chloro-3-hydroxybenzoic acid;tribromoborane

4-chloro-3-hydroxybenzoic acid;tribromoborane (PubChem CID 157084647) has the molecular formula C7H5BBr3ClO3 and a molecular weight of 423.09 g/mol. Its IUPAC name is 4-chloro-3-hydroxybenzoic acid;tribromoborane.

Molecular Properties

Compound Name4-chloro-3-hydroxybenzoic acid;tribromoborane
PubChem CID157084647
Molecular FormulaC7H5BBr3ClO3
Molecular Weight423.09 g/mol
Exact Mass419.76
IUPAC Name4-chloro-3-hydroxybenzoic acid;tribromoborane
SMILESBrB(Br)Br.O=C(O)c1ccc(Cl)c(O)c1
InChIInChI=1S/C7H5ClO3.BBr3/c8-5-2-1-4(7(10)11)3-6(5)9;2-1(3)4/h1-3,9H,(H,10,11);
InChIKeyADYJXVBRMQUSDV-UHFFFAOYSA-N
XLogP3.90
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.09
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 4-chloro-3-hydroxybenzoic acid;tribromoborane?
The IUPAC name of 4-chloro-3-hydroxybenzoic acid;tribromoborane (CID 157084647) is 4-chloro-3-hydroxybenzoic acid;tribromoborane.
What is the SMILES notation for 4-chloro-3-hydroxybenzoic acid;tribromoborane?
The canonical SMILES for 4-chloro-3-hydroxybenzoic acid;tribromoborane is BrB(Br)Br.O=C(O)c1ccc(Cl)c(O)c1.
What is the InChIKey of 4-chloro-3-hydroxybenzoic acid;tribromoborane?
The InChIKey is ADYJXVBRMQUSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClO3.BBr3/c8-5-2-1-4(7(10)11)3-6(5)9;2-1(3)4/h1-3,9H,(H,10,11);.
What are the key properties of 4-chloro-3-hydroxybenzoic acid;tribromoborane?
4-chloro-3-hydroxybenzoic acid;tribromoborane has a molecular weight of 423.09 g/mol, XLogP of 3.90, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-hydroxybenzoic acid;tribromoborane is sourced from PubChem (CID 157084647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).