4-hydrazinylbenzoic acid;hydron;chloride

C7H9ClN2O2 — CID 90134098

IUPAC4-hydrazinylbenzoic acid;hydron;chloride
SMILESNNc1ccc(C(=O)O)cc1.[Cl-].[H+]
InChIInChI=1S/C7H8N2O2.ClH/c8-9-6-3-1-5(2-4-6)7(10)11;/h1-4,9H,8H2,(H,10,11);1H
InChIKeyXHLQMKQBCHYRLC-UHFFFAOYSA-N
MW188.61 g/mol
LogP-2.21
Rot. Bonds2

About 4-hydrazinylbenzoic acid;hydron;chloride

4-hydrazinylbenzoic acid;hydron;chloride (PubChem CID 90134098) has the molecular formula C7H9ClN2O2 and a molecular weight of 188.61 g/mol. Its IUPAC name is 4-hydrazinylbenzoic acid;hydron;chloride.

Molecular Properties

Compound Name4-hydrazinylbenzoic acid;hydron;chloride
PubChem CID90134098
Molecular FormulaC7H9ClN2O2
Molecular Weight188.61 g/mol
Exact Mass188.04
IUPAC Name4-hydrazinylbenzoic acid;hydron;chloride
SMILESNNc1ccc(C(=O)O)cc1.[Cl-].[H+]
InChIInChI=1S/C7H8N2O2.ClH/c8-9-6-3-1-5(2-4-6)7(10)11;/h1-4,9H,8H2,(H,10,11);1H
InChIKeyXHLQMKQBCHYRLC-UHFFFAOYSA-N
XLogP-2.21
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.61
LogP ≤ 5-2.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoro-1-(4-hydrazinylphenyl)ethanone
CID 15580662
terephthalic acid
CID 160582437
4-(oxidoamino)benzoic acid
CID 54746218
2-amino-1-(4-hydrazinylphenyl)ethanone
CID 174286763
chromium;terephthalic acid
CID 87187082
bismuthane;terephthalic acid
CID 173299583
terephthalic acid;dihydrofluoride
CID 70485309
(4-bromophenyl)-(4-hydrazinylphenyl)methanone
CID 141456998
azepan-1-yl-(4-hydrazinylphenyl)methanone
CID 62249723
cobalt;nickel;terephthalic acid
CID 175016500
potassium;terephthalic acid;hydroxide
CID 157415014
silver;terephthalic acid;zinc
CID 88512761

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinylbenzoic acid;hydron;chloride?
The IUPAC name of 4-hydrazinylbenzoic acid;hydron;chloride (CID 90134098) is 4-hydrazinylbenzoic acid;hydron;chloride.
What is the SMILES notation for 4-hydrazinylbenzoic acid;hydron;chloride?
The canonical SMILES for 4-hydrazinylbenzoic acid;hydron;chloride is NNc1ccc(C(=O)O)cc1.[Cl-].[H+].
What is the InChIKey of 4-hydrazinylbenzoic acid;hydron;chloride?
The InChIKey is XHLQMKQBCHYRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2.ClH/c8-9-6-3-1-5(2-4-6)7(10)11;/h1-4,9H,8H2,(H,10,11);1H.
What are the key properties of 4-hydrazinylbenzoic acid;hydron;chloride?
4-hydrazinylbenzoic acid;hydron;chloride has a molecular weight of 188.61 g/mol, XLogP of -2.21, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinylbenzoic acid;hydron;chloride is sourced from PubChem (CID 90134098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).