(2,3,4-tribromophenyl) hydrogen carbonate

C7H3Br3O3 — CID 18518964

IUPAC(2,3,4-tribromophenyl) hydrogen carbonate
SMILESO=C(O)Oc1ccc(Br)c(Br)c1Br
InChIInChI=1S/C7H3Br3O3/c8-3-1-2-4(13-7(11)12)6(10)5(3)9/h1-2H,(H,11,12)
InChIKeyFKWFIIMKPRTXIY-UHFFFAOYSA-N
MW374.81 g/mol
LogP4.03
Rot. Bonds1

About (2,3,4-tribromophenyl) hydrogen carbonate

(2,3,4-tribromophenyl) hydrogen carbonate (PubChem CID 18518964) has the molecular formula C7H3Br3O3 and a molecular weight of 374.81 g/mol. Its IUPAC name is (2,3,4-tribromophenyl) hydrogen carbonate.

Molecular Properties

Compound Name(2,3,4-tribromophenyl) hydrogen carbonate
PubChem CID18518964
Molecular FormulaC7H3Br3O3
Molecular Weight374.81 g/mol
Exact Mass371.76
IUPAC Name(2,3,4-tribromophenyl) hydrogen carbonate
SMILESO=C(O)Oc1ccc(Br)c(Br)c1Br
InChIInChI=1S/C7H3Br3O3/c8-3-1-2-4(13-7(11)12)6(10)5(3)9/h1-2H,(H,11,12)
InChIKeyFKWFIIMKPRTXIY-UHFFFAOYSA-N
XLogP4.03
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.81
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

Analyze (2,3,4-tribromophenyl) hydrogen carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,3,4-tribromophenyl) hydrogen carbonate?
The IUPAC name of (2,3,4-tribromophenyl) hydrogen carbonate (CID 18518964) is (2,3,4-tribromophenyl) hydrogen carbonate.
What is the SMILES notation for (2,3,4-tribromophenyl) hydrogen carbonate?
The canonical SMILES for (2,3,4-tribromophenyl) hydrogen carbonate is O=C(O)Oc1ccc(Br)c(Br)c1Br.
What is the InChIKey of (2,3,4-tribromophenyl) hydrogen carbonate?
The InChIKey is FKWFIIMKPRTXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Br3O3/c8-3-1-2-4(13-7(11)12)6(10)5(3)9/h1-2H,(H,11,12).
What are the key properties of (2,3,4-tribromophenyl) hydrogen carbonate?
(2,3,4-tribromophenyl) hydrogen carbonate has a molecular weight of 374.81 g/mol, XLogP of 4.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4-tribromophenyl) hydrogen carbonate is sourced from PubChem (CID 18518964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).