1-chloro-2-(4-methoxyphenyl)hydrazine;sulfuric acid

C7H11ClN2O5S — CID 175006375

IUPAC1-chloro-2-(4-methoxyphenyl)hydrazine;sulfuric acid
SMILESCOc1ccc(NNCl)cc1.O=S(=O)(O)O
InChIInChI=1S/C7H9ClN2O.H2O4S/c1-11-7-4-2-6(3-5-7)9-10-8;1-5(2,3)4/h2-5,9-10H,1H3;(H2,1,2,3,4)
InChIKeyLUHMAGXJHZYTJQ-UHFFFAOYSA-N
MW270.69 g/mol
LogP1.11
Rot. Bonds3

About 1-chloro-2-(4-methoxyphenyl)hydrazine;sulfuric acid

1-chloro-2-(4-methoxyphenyl)hydrazine;sulfuric acid (PubChem CID 175006375) has the molecular formula C7H11ClN2O5S and a molecular weight of 270.69 g/mol. Its IUPAC name is 1-chloro-2-(4-methoxyphenyl)hydrazine;sulfuric acid.

Molecular Properties

Compound Name1-chloro-2-(4-methoxyphenyl)hydrazine;sulfuric acid
PubChem CID175006375
Molecular FormulaC7H11ClN2O5S
Molecular Weight270.69 g/mol
Exact Mass270.01
IUPAC Name1-chloro-2-(4-methoxyphenyl)hydrazine;sulfuric acid
SMILESCOc1ccc(NNCl)cc1.O=S(=O)(O)O
InChIInChI=1S/C7H9ClN2O.H2O4S/c1-11-7-4-2-6(3-5-7)9-10-8;1-5(2,3)4/h2-5,9-10H,1H3;(H2,1,2,3,4)
InChIKeyLUHMAGXJHZYTJQ-UHFFFAOYSA-N
XLogP1.11
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.69
LogP ≤ 51.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', '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 1-chloro-2-(4-methoxyphenyl)hydrazine;sulfuric acid?
The IUPAC name of 1-chloro-2-(4-methoxyphenyl)hydrazine;sulfuric acid (CID 175006375) is 1-chloro-2-(4-methoxyphenyl)hydrazine;sulfuric acid.
What is the SMILES notation for 1-chloro-2-(4-methoxyphenyl)hydrazine;sulfuric acid?
The canonical SMILES for 1-chloro-2-(4-methoxyphenyl)hydrazine;sulfuric acid is COc1ccc(NNCl)cc1.O=S(=O)(O)O.
What is the InChIKey of 1-chloro-2-(4-methoxyphenyl)hydrazine;sulfuric acid?
The InChIKey is LUHMAGXJHZYTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O.H2O4S/c1-11-7-4-2-6(3-5-7)9-10-8;1-5(2,3)4/h2-5,9-10H,1H3;(H2,1,2,3,4).
What are the key properties of 1-chloro-2-(4-methoxyphenyl)hydrazine;sulfuric acid?
1-chloro-2-(4-methoxyphenyl)hydrazine;sulfuric acid has a molecular weight of 270.69 g/mol, XLogP of 1.11, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(4-methoxyphenyl)hydrazine;sulfuric acid is sourced from PubChem (CID 175006375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).