1,3-dichloro-5-(diazomethyl)benzene

C7H4Cl2N2 — CID 12584627

IUPAC1,3-dichloro-5-(diazomethyl)benzene
SMILES[N-]=[N+]=Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C7H4Cl2N2/c8-6-1-5(4-11-10)2-7(9)3-6/h1-4H
InChIKeyBZUOILQENWCNJK-UHFFFAOYSA-N
MW187.03 g/mol
LogP2.64
Rot. Bonds1

About 1,3-dichloro-5-(diazomethyl)benzene

1,3-dichloro-5-(diazomethyl)benzene (PubChem CID 12584627) has the molecular formula C7H4Cl2N2 and a molecular weight of 187.03 g/mol. Its IUPAC name is 1,3-dichloro-5-(diazomethyl)benzene.

Molecular Properties

Compound Name1,3-dichloro-5-(diazomethyl)benzene
PubChem CID12584627
Molecular FormulaC7H4Cl2N2
Molecular Weight187.03 g/mol
Exact Mass185.98
IUPAC Name1,3-dichloro-5-(diazomethyl)benzene
SMILES[N-]=[N+]=Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C7H4Cl2N2/c8-6-1-5(4-11-10)2-7(9)3-6/h1-4H
InChIKeyBZUOILQENWCNJK-UHFFFAOYSA-N
XLogP2.64
TPSA36.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.03
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-5-(diazomethyl)benzene?
The IUPAC name of 1,3-dichloro-5-(diazomethyl)benzene (CID 12584627) is 1,3-dichloro-5-(diazomethyl)benzene.
What is the SMILES notation for 1,3-dichloro-5-(diazomethyl)benzene?
The canonical SMILES for 1,3-dichloro-5-(diazomethyl)benzene is [N-]=[N+]=Cc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1,3-dichloro-5-(diazomethyl)benzene?
The InChIKey is BZUOILQENWCNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2N2/c8-6-1-5(4-11-10)2-7(9)3-6/h1-4H.
What are the key properties of 1,3-dichloro-5-(diazomethyl)benzene?
1,3-dichloro-5-(diazomethyl)benzene has a molecular weight of 187.03 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-5-(diazomethyl)benzene is sourced from PubChem (CID 12584627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).