(3-amino-2,4,6-tribromophenyl)phosphonic acid

C6H5Br3NO3P — CID 23338623

IUPAC(3-amino-2,4,6-tribromophenyl)phosphonic acid
SMILESNc1c(Br)cc(Br)c(P(=O)(O)O)c1Br
InChIInChI=1S/C6H5Br3NO3P/c7-2-1-3(8)6(14(11,12)13)4(9)5(2)10/h1H,10H2,(H2,11,12,13)
InChIKeyXEAJBARBAPOJIV-UHFFFAOYSA-N
MW409.80 g/mol
LogP2.36
Rot. Bonds1

About (3-amino-2,4,6-tribromophenyl)phosphonic acid

(3-amino-2,4,6-tribromophenyl)phosphonic acid (PubChem CID 23338623) has the molecular formula C6H5Br3NO3P and a molecular weight of 409.80 g/mol. Its IUPAC name is (3-amino-2,4,6-tribromophenyl)phosphonic acid.

Molecular Properties

Compound Name(3-amino-2,4,6-tribromophenyl)phosphonic acid
PubChem CID23338623
Molecular FormulaC6H5Br3NO3P
Molecular Weight409.80 g/mol
Exact Mass406.76
IUPAC Name(3-amino-2,4,6-tribromophenyl)phosphonic acid
SMILESNc1c(Br)cc(Br)c(P(=O)(O)O)c1Br
InChIInChI=1S/C6H5Br3NO3P/c7-2-1-3(8)6(14(11,12)13)4(9)5(2)10/h1H,10H2,(H2,11,12,13)
InChIKeyXEAJBARBAPOJIV-UHFFFAOYSA-N
XLogP2.36
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.80
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-amino-2,4,6-tribromophenyl)phosphonic acid?
The IUPAC name of (3-amino-2,4,6-tribromophenyl)phosphonic acid (CID 23338623) is (3-amino-2,4,6-tribromophenyl)phosphonic acid.
What is the SMILES notation for (3-amino-2,4,6-tribromophenyl)phosphonic acid?
The canonical SMILES for (3-amino-2,4,6-tribromophenyl)phosphonic acid is Nc1c(Br)cc(Br)c(P(=O)(O)O)c1Br.
What is the InChIKey of (3-amino-2,4,6-tribromophenyl)phosphonic acid?
The InChIKey is XEAJBARBAPOJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Br3NO3P/c7-2-1-3(8)6(14(11,12)13)4(9)5(2)10/h1H,10H2,(H2,11,12,13).
What are the key properties of (3-amino-2,4,6-tribromophenyl)phosphonic acid?
(3-amino-2,4,6-tribromophenyl)phosphonic acid has a molecular weight of 409.80 g/mol, XLogP of 2.36, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2,4,6-tribromophenyl)phosphonic acid is sourced from PubChem (CID 23338623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).