disodium;(2-amino-5-bromophenyl)phosphonic acid;hydride

C6H9BrNNa2O3P — CID 173176217

IUPACdisodium;(2-amino-5-bromophenyl)phosphonic acid;hydride
SMILESNc1ccc(Br)cc1P(=O)(O)O.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C6H7BrNO3P.2Na.2H/c7-4-1-2-5(8)6(3-4)12(9,10)11;;;;/h1-3H,8H2,(H2,9,10,11);;;;/q;2*+1;2*-1
InChIKeyCRPHGJIBWJNONY-UHFFFAOYSA-N
MW300.00 g/mol
LogP-4.93
Rot. Bonds1

About disodium;(2-amino-5-bromophenyl)phosphonic acid;hydride

disodium;(2-amino-5-bromophenyl)phosphonic acid;hydride (PubChem CID 173176217) has the molecular formula C6H9BrNNa2O3P and a molecular weight of 300.00 g/mol. Its IUPAC name is disodium;(2-amino-5-bromophenyl)phosphonic acid;hydride.

Molecular Properties

Compound Namedisodium;(2-amino-5-bromophenyl)phosphonic acid;hydride
PubChem CID173176217
Molecular FormulaC6H9BrNNa2O3P
Molecular Weight300.00 g/mol
Exact Mass298.93
IUPAC Namedisodium;(2-amino-5-bromophenyl)phosphonic acid;hydride
SMILESNc1ccc(Br)cc1P(=O)(O)O.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C6H7BrNO3P.2Na.2H/c7-4-1-2-5(8)6(3-4)12(9,10)11;;;;/h1-3H,8H2,(H2,9,10,11);;;;/q;2*+1;2*-1
InChIKeyCRPHGJIBWJNONY-UHFFFAOYSA-N
XLogP-4.93
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.00
LogP ≤ 5-4.93
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 disodium;(2-amino-5-bromophenyl)phosphonic acid;hydride?
The IUPAC name of disodium;(2-amino-5-bromophenyl)phosphonic acid;hydride (CID 173176217) is disodium;(2-amino-5-bromophenyl)phosphonic acid;hydride.
What is the SMILES notation for disodium;(2-amino-5-bromophenyl)phosphonic acid;hydride?
The canonical SMILES for disodium;(2-amino-5-bromophenyl)phosphonic acid;hydride is Nc1ccc(Br)cc1P(=O)(O)O.[H-].[H-].[Na+].[Na+].
What is the InChIKey of disodium;(2-amino-5-bromophenyl)phosphonic acid;hydride?
The InChIKey is CRPHGJIBWJNONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrNO3P.2Na.2H/c7-4-1-2-5(8)6(3-4)12(9,10)11;;;;/h1-3H,8H2,(H2,9,10,11);;;;/q;2*+1;2*-1.
What are the key properties of disodium;(2-amino-5-bromophenyl)phosphonic acid;hydride?
disodium;(2-amino-5-bromophenyl)phosphonic acid;hydride has a molecular weight of 300.00 g/mol, XLogP of -4.93, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;(2-amino-5-bromophenyl)phosphonic acid;hydride is sourced from PubChem (CID 173176217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).