5-Chloro-1,10-phenanthroline

Catalog Number	ACM4199897-2
CAS	4199-89-7
Structure
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.
Purity	98%
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
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

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.