bicyclo[2.2.0]hexa-1,3,5-triene;1,2-dichlorohydrazine

C6H6Cl2N2 — CID 174302685

IUPACbicyclo[2.2.0]hexa-1,3,5-triene;1,2-dichlorohydrazine
SMILESClNNCl.c1cc2ccc1-2
InChIInChI=1S/C6H4.Cl2H2N2/c1-2-6-4-3-5(1)6;1-3-4-2/h1-4H;3-4H
InChIKeyKRIHNFWRVAVGQN-UHFFFAOYSA-N
MW177.03 g/mol
LogP2.06
Rot. Bonds1

About bicyclo[2.2.0]hexa-1,3,5-triene;1,2-dichlorohydrazine

bicyclo[2.2.0]hexa-1,3,5-triene;1,2-dichlorohydrazine (PubChem CID 174302685) has the molecular formula C6H6Cl2N2 and a molecular weight of 177.03 g/mol. Its IUPAC name is bicyclo[2.2.0]hexa-1,3,5-triene;1,2-dichlorohydrazine.

Molecular Properties

Compound Namebicyclo[2.2.0]hexa-1,3,5-triene;1,2-dichlorohydrazine
PubChem CID174302685
Molecular FormulaC6H6Cl2N2
Molecular Weight177.03 g/mol
Exact Mass175.99
IUPAC Namebicyclo[2.2.0]hexa-1,3,5-triene;1,2-dichlorohydrazine
SMILESClNNCl.c1cc2ccc1-2
InChIInChI=1S/C6H4.Cl2H2N2/c1-2-6-4-3-5(1)6;1-3-4-2/h1-4H;3-4H
InChIKeyKRIHNFWRVAVGQN-UHFFFAOYSA-N
XLogP2.06
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.03
LogP ≤ 52.06
H-Bond Donors ≤ 52
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 bicyclo[2.2.0]hexa-1,3,5-triene;1,2-dichlorohydrazine?
The IUPAC name of bicyclo[2.2.0]hexa-1,3,5-triene;1,2-dichlorohydrazine (CID 174302685) is bicyclo[2.2.0]hexa-1,3,5-triene;1,2-dichlorohydrazine.
What is the SMILES notation for bicyclo[2.2.0]hexa-1,3,5-triene;1,2-dichlorohydrazine?
The canonical SMILES for bicyclo[2.2.0]hexa-1,3,5-triene;1,2-dichlorohydrazine is ClNNCl.c1cc2ccc1-2.
What is the InChIKey of bicyclo[2.2.0]hexa-1,3,5-triene;1,2-dichlorohydrazine?
The InChIKey is KRIHNFWRVAVGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4.Cl2H2N2/c1-2-6-4-3-5(1)6;1-3-4-2/h1-4H;3-4H.
What are the key properties of bicyclo[2.2.0]hexa-1,3,5-triene;1,2-dichlorohydrazine?
bicyclo[2.2.0]hexa-1,3,5-triene;1,2-dichlorohydrazine has a molecular weight of 177.03 g/mol, XLogP of 2.06, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.0]hexa-1,3,5-triene;1,2-dichlorohydrazine is sourced from PubChem (CID 174302685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).