1,1,2-trichloro-2-phenylhydrazine

C6H5Cl3N2 — CID 54434340

IUPAC1,1,2-trichloro-2-phenylhydrazine
SMILESClN(Cl)N(Cl)c1ccccc1
InChIInChI=1S/C6H5Cl3N2/c7-10(11(8)9)6-4-2-1-3-5-6/h1-5H
InChIKeyWJRPBUWQVPCWRV-UHFFFAOYSA-N
MW211.48 g/mol
LogP3.17
Rot. Bonds2

About 1,1,2-trichloro-2-phenylhydrazine

1,1,2-trichloro-2-phenylhydrazine (PubChem CID 54434340) has the molecular formula C6H5Cl3N2 and a molecular weight of 211.48 g/mol. Its IUPAC name is 1,1,2-trichloro-2-phenylhydrazine.

Molecular Properties

Compound Name1,1,2-trichloro-2-phenylhydrazine
PubChem CID54434340
Molecular FormulaC6H5Cl3N2
Molecular Weight211.48 g/mol
Exact Mass209.95
IUPAC Name1,1,2-trichloro-2-phenylhydrazine
SMILESClN(Cl)N(Cl)c1ccccc1
InChIInChI=1S/C6H5Cl3N2/c7-10(11(8)9)6-4-2-1-3-5-6/h1-5H
InChIKeyWJRPBUWQVPCWRV-UHFFFAOYSA-N
XLogP3.17
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.48
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2-trichloro-2-phenylhydrazine?
The IUPAC name of 1,1,2-trichloro-2-phenylhydrazine (CID 54434340) is 1,1,2-trichloro-2-phenylhydrazine.
What is the SMILES notation for 1,1,2-trichloro-2-phenylhydrazine?
The canonical SMILES for 1,1,2-trichloro-2-phenylhydrazine is ClN(Cl)N(Cl)c1ccccc1.
What is the InChIKey of 1,1,2-trichloro-2-phenylhydrazine?
The InChIKey is WJRPBUWQVPCWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl3N2/c7-10(11(8)9)6-4-2-1-3-5-6/h1-5H.
What are the key properties of 1,1,2-trichloro-2-phenylhydrazine?
1,1,2-trichloro-2-phenylhydrazine has a molecular weight of 211.48 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trichloro-2-phenylhydrazine is sourced from PubChem (CID 54434340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).