2-Chlorobicyclo[2.2.0]hexa-1,3,5-triene;hydrazine;hydrochloride

C6H8Cl2N2 — CID 69170175

IUPAC2-chlorobicyclo[2.2.0]hexa-1,3,5-triene;hydrazine;hydrochloride
SMILESC1=CC2=C(C=C21)Cl.NN.Cl
InChIInChI=1S/C6H3Cl.ClH.H4N2/c7-6-3-4-1-2-5(4)6;;1-2/h1-3H;1H;1-2H2
InChIKeyQPTIUCBWKSKGEW-UHFFFAOYSA-N
MW179.04 g/mol
LogP—
Rot. Bonds

About 2-Chlorobicyclo[2.2.0]hexa-1,3,5-triene;hydrazine;hydrochloride

2-Chlorobicyclo[2.2.0]hexa-1,3,5-triene;hydrazine;hydrochloride (PubChem CID 69170175) has the molecular formula C6H8Cl2N2 and a molecular weight of 179.04 g/mol. Its IUPAC name is 2-chlorobicyclo[2.2.0]hexa-1,3,5-triene;hydrazine;hydrochloride.

Molecular Properties

Compound Name2-Chlorobicyclo[2.2.0]hexa-1,3,5-triene;hydrazine;hydrochloride
PubChem CID69170175
Molecular FormulaC6H8Cl2N2
Molecular Weight179.04 g/mol
Exact Mass178.01
IUPAC Name2-chlorobicyclo[2.2.0]hexa-1,3,5-triene;hydrazine;hydrochloride
SMILESC1=CC2=C(C=C21)Cl.NN.Cl
InChIInChI=1S/C6H3Cl.ClH.H4N2/c7-6-3-4-1-2-5(4)6;;1-2/h1-3H;1H;1-2H2
InChIKeyQPTIUCBWKSKGEW-UHFFFAOYSA-N
XLogP—
TPSA52.00 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity90

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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

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CID 70189037
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CID 70292646
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CID 174302685
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CID 174597411
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CID 175060859
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CID 175402052
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Frequently Asked Questions

What is the IUPAC name of 2-Chlorobicyclo[2.2.0]hexa-1,3,5-triene;hydrazine;hydrochloride?
The IUPAC name of 2-Chlorobicyclo[2.2.0]hexa-1,3,5-triene;hydrazine;hydrochloride (CID 69170175) is 2-chlorobicyclo[2.2.0]hexa-1,3,5-triene;hydrazine;hydrochloride.
What is the SMILES notation for 2-Chlorobicyclo[2.2.0]hexa-1,3,5-triene;hydrazine;hydrochloride?
The canonical SMILES for 2-Chlorobicyclo[2.2.0]hexa-1,3,5-triene;hydrazine;hydrochloride is C1=CC2=C(C=C21)Cl.NN.Cl.
What is the InChIKey of 2-Chlorobicyclo[2.2.0]hexa-1,3,5-triene;hydrazine;hydrochloride?
The InChIKey is QPTIUCBWKSKGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl.ClH.H4N2/c7-6-3-4-1-2-5(4)6;;1-2/h1-3H;1H;1-2H2.
What are the key properties of 2-Chlorobicyclo[2.2.0]hexa-1,3,5-triene;hydrazine;hydrochloride?
2-Chlorobicyclo[2.2.0]hexa-1,3,5-triene;hydrazine;hydrochloride has a molecular weight of 179.04 g/mol, XLogP of not available, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Chlorobicyclo[2.2.0]hexa-1,3,5-triene;hydrazine;hydrochloride is sourced from PubChem (CID 69170175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).