phosphono 4-hydrazinylbenzoate

C7H9N2O5P — CID 138619693

IUPACphosphono 4-hydrazinylbenzoate
SMILESNNc1ccc(C(=O)OP(=O)(O)O)cc1
InChIInChI=1S/C7H9N2O5P/c8-9-6-3-1-5(2-4-6)7(10)14-15(11,12)13/h1-4,9H,8H2,(H2,11,12,13)
InChIKeyDSXUWBPDCGOQKQ-UHFFFAOYSA-N
MW232.13 g/mol
LogP0.22
Rot. Bonds3

About phosphono 4-hydrazinylbenzoate

phosphono 4-hydrazinylbenzoate (PubChem CID 138619693) has the molecular formula C7H9N2O5P and a molecular weight of 232.13 g/mol. Its IUPAC name is phosphono 4-hydrazinylbenzoate.

Molecular Properties

Compound Namephosphono 4-hydrazinylbenzoate
PubChem CID138619693
Molecular FormulaC7H9N2O5P
Molecular Weight232.13 g/mol
Exact Mass232.02
IUPAC Namephosphono 4-hydrazinylbenzoate
SMILESNNc1ccc(C(=O)OP(=O)(O)O)cc1
InChIInChI=1S/C7H9N2O5P/c8-9-6-3-1-5(2-4-6)7(10)14-15(11,12)13/h1-4,9H,8H2,(H2,11,12,13)
InChIKeyDSXUWBPDCGOQKQ-UHFFFAOYSA-N
XLogP0.22
TPSA121.88 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.13
LogP ≤ 50.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

azane;phosphono benzoate
CID 174881549
4-hydrazinyl-N-methylbenzamide
CID 20649402
4-hydrazinylbenzoic acid;hydron;chloride
CID 90134098
2-amino-1-(4-hydrazinylphenyl)ethanone
CID 174286763
4-hydrazinyl-N-(4-methoxyphenyl)benzamide
CID 62237684
2,2,2-trifluoro-1-(4-hydrazinylphenyl)ethanone
CID 15580662
(4-bromophenyl)-(4-hydrazinylphenyl)methanone
CID 141456998
4-hydrazinyl-N-(2,3,4-trifluorophenyl)benzamide
CID 62237967
4-hydrazinyl-N-prop-2-enylbenzamide
CID 138742315
N-(4-cyanophenyl)-4-hydrazinylbenzamide
CID 55052706
N-(4-amino-4-oxobutyl)-4-hydrazinylbenzamide
CID 62237082
N-(3,4-dichlorophenyl)-4-hydrazinylbenzamide
CID 62235810

Frequently Asked Questions

What is the IUPAC name of phosphono 4-hydrazinylbenzoate?
The IUPAC name of phosphono 4-hydrazinylbenzoate (CID 138619693) is phosphono 4-hydrazinylbenzoate.
What is the SMILES notation for phosphono 4-hydrazinylbenzoate?
The canonical SMILES for phosphono 4-hydrazinylbenzoate is NNc1ccc(C(=O)OP(=O)(O)O)cc1.
What is the InChIKey of phosphono 4-hydrazinylbenzoate?
The InChIKey is DSXUWBPDCGOQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N2O5P/c8-9-6-3-1-5(2-4-6)7(10)14-15(11,12)13/h1-4,9H,8H2,(H2,11,12,13).
What are the key properties of phosphono 4-hydrazinylbenzoate?
phosphono 4-hydrazinylbenzoate has a molecular weight of 232.13 g/mol, XLogP of 0.22, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phosphono 4-hydrazinylbenzoate is sourced from PubChem (CID 138619693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).