chlorobenzene;phenylhydrazine;sulfuric acid

C12H15ClN2O4S — CID 175139675

IUPACchlorobenzene;phenylhydrazine;sulfuric acid
SMILESClc1ccccc1.NNc1ccccc1.O=S(=O)(O)O
InChIInChI=1S/C6H5Cl.C6H8N2.H2O4S/c7-6-4-2-1-3-5-6;7-8-6-4-2-1-3-5-6;1-5(2,3)4/h1-5H;1-5,8H,7H2;(H2,1,2,3,4)
InChIKeyKGARJGVNXQSMDD-UHFFFAOYSA-N
MW318.78 g/mol
LogP2.66
Rot. Bonds1

About chlorobenzene;phenylhydrazine;sulfuric acid

chlorobenzene;phenylhydrazine;sulfuric acid (PubChem CID 175139675) has the molecular formula C12H15ClN2O4S and a molecular weight of 318.78 g/mol. Its IUPAC name is chlorobenzene;phenylhydrazine;sulfuric acid.

Molecular Properties

Compound Namechlorobenzene;phenylhydrazine;sulfuric acid
PubChem CID175139675
Molecular FormulaC12H15ClN2O4S
Molecular Weight318.78 g/mol
Exact Mass318.04
IUPAC Namechlorobenzene;phenylhydrazine;sulfuric acid
SMILESClc1ccccc1.NNc1ccccc1.O=S(=O)(O)O
InChIInChI=1S/C6H5Cl.C6H8N2.H2O4S/c7-6-4-2-1-3-5-6;7-8-6-4-2-1-3-5-6;1-5(2,3)4/h1-5H;1-5,8H,7H2;(H2,1,2,3,4)
InChIKeyKGARJGVNXQSMDD-UHFFFAOYSA-N
XLogP2.66
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.78
LogP ≤ 52.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of chlorobenzene;phenylhydrazine;sulfuric acid?
The IUPAC name of chlorobenzene;phenylhydrazine;sulfuric acid (CID 175139675) is chlorobenzene;phenylhydrazine;sulfuric acid.
What is the SMILES notation for chlorobenzene;phenylhydrazine;sulfuric acid?
The canonical SMILES for chlorobenzene;phenylhydrazine;sulfuric acid is Clc1ccccc1.NNc1ccccc1.O=S(=O)(O)O.
What is the InChIKey of chlorobenzene;phenylhydrazine;sulfuric acid?
The InChIKey is KGARJGVNXQSMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl.C6H8N2.H2O4S/c7-6-4-2-1-3-5-6;7-8-6-4-2-1-3-5-6;1-5(2,3)4/h1-5H;1-5,8H,7H2;(H2,1,2,3,4).
What are the key properties of chlorobenzene;phenylhydrazine;sulfuric acid?
chlorobenzene;phenylhydrazine;sulfuric acid has a molecular weight of 318.78 g/mol, XLogP of 2.66, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chlorobenzene;phenylhydrazine;sulfuric acid is sourced from PubChem (CID 175139675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).