5-Chloro-1,10-phenanthroline

• Catalog Number: ACM4199897-2
• Product Name: 5-Chloro-1,10-phenanthroline
• CAS: 4199-89-7
• Category: Heterocyclic Organic Compound
• Synonyms: 1,10-Phenanthroline, 5-Chloro-
• IUPAC Name: 5-chloro-1,10-phenanthroline
• Molecular Weight: 214.65
• Molecular Formula: C12H7ClN2
• Canonical SMILES: C1=CC2=CC(=C3C=CC=NC3=C2N=C1)Cl
• InChI: XDUUQOQFSWSZSM-UHFFFAOYSA-N
• InChI Key: InChI=1S/C12H7ClN2/c13-10-7-8-3-1-5-14-11(8)12-9(10)4-2-6-15-12/h1-7H
• Boiling Point: 397.4±22.0 °C(Predicted)
• Melting Point: 124-126 °C -lit.
• Density: Hygroscopic
• Appearance: Light brown powder
• Storage: Store under inert gas
• Complexity: 234
• Covalently-Bonded Unit Count: 1
• EC Number: 224-098-1
• Exact Mass: 214.0297759
• H-Bond Acceptor: 2
• Heavy Atom Count: 15
• Hydrogen Bond Acceptor Count: 2
• Hydrogen Bond Donor Count: 0
• MDL Number: MFCD00004980
• Monoisotopic Mass: 214.0297759
• Rotatable Bond Count: 0
• Topological Polar Surface Area: 25.8 Ų

Custom Q&A

What is the molecular formula of 5-Chloro-1,10-phenanthroline?

The molecular formula is C12H7ClN2.

What is the molecular weight of 5-Chloro-1,10-phenanthroline?

The molecular weight is 214.65 g/mol.

What is the IUPAC name of 5-Chloro-1,10-phenanthroline?

The IUPAC name is 5-chloro-1,10-phenanthroline.

What is the InChIKey of 5-Chloro-1,10-phenanthroline?

The InChIKey is XDUUQOQFSWSZSM-UHFFFAOYSA-N.

What is the CAS number of 5-Chloro-1,10-phenanthroline?

The CAS number is 4199-89-7.

What is the European Community (EC) number of 5-Chloro-1,10-phenanthroline?

The EC number is 224-098-1.

What is the ChEMBL ID of 5-Chloro-1,10-phenanthroline?

The ChEMBL ID is CHEMBL317115.

What is the XLogP3-AA value of 5-Chloro-1,10-phenanthroline?

The XLogP3-AA value is 3.1.

How many hydrogen bond acceptors are there in 5-Chloro-1,10-phenanthroline?

There are 2 hydrogen bond acceptors.

How many rotatable bonds are there in 5-Chloro-1,10-phenanthroline?

There are 0 rotatable bonds.