tris(2-bromophenyl) phosphite

C18H12Br3O3P — CID 54277872

IUPACtris(2-bromophenyl) phosphite
SMILESBrc1ccccc1OP(Oc1ccccc1Br)Oc1ccccc1Br
InChIInChI=1S/C18H12Br3O3P/c19-13-7-1-4-10-16(13)22-25(23-17-11-5-2-8-14(17)20)24-18-12-6-3-9-15(18)21/h1-12H
InChIKeyRORNQBVFSGNPRT-UHFFFAOYSA-N
MW546.98 g/mol
LogP7.74
Rot. Bonds6

About tris(2-bromophenyl) phosphite

tris(2-bromophenyl) phosphite (PubChem CID 54277872) has the molecular formula C18H12Br3O3P and a molecular weight of 546.98 g/mol. Its IUPAC name is tris(2-bromophenyl) phosphite.

Molecular Properties

Compound Nametris(2-bromophenyl) phosphite
PubChem CID54277872
Molecular FormulaC18H12Br3O3P
Molecular Weight546.98 g/mol
Exact Mass543.81
IUPAC Nametris(2-bromophenyl) phosphite
SMILESBrc1ccccc1OP(Oc1ccccc1Br)Oc1ccccc1Br
InChIInChI=1S/C18H12Br3O3P/c19-13-7-1-4-10-16(13)22-25(23-17-11-5-2-8-14(17)20)24-18-12-6-3-9-15(18)21/h1-12H
InChIKeyRORNQBVFSGNPRT-UHFFFAOYSA-N
XLogP7.74
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.98
LogP ≤ 57.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tris(2-bromophenyl) phosphite?
The IUPAC name of tris(2-bromophenyl) phosphite (CID 54277872) is tris(2-bromophenyl) phosphite.
What is the SMILES notation for tris(2-bromophenyl) phosphite?
The canonical SMILES for tris(2-bromophenyl) phosphite is Brc1ccccc1OP(Oc1ccccc1Br)Oc1ccccc1Br.
What is the InChIKey of tris(2-bromophenyl) phosphite?
The InChIKey is RORNQBVFSGNPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Br3O3P/c19-13-7-1-4-10-16(13)22-25(23-17-11-5-2-8-14(17)20)24-18-12-6-3-9-15(18)21/h1-12H.
What are the key properties of tris(2-bromophenyl) phosphite?
tris(2-bromophenyl) phosphite has a molecular weight of 546.98 g/mol, XLogP of 7.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-bromophenyl) phosphite is sourced from PubChem (CID 54277872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).