2-Chloro-1,10-Phenanthroline

Catalog Number	ACM7089681-2
CAS	7089-68-1
Structure
Synonyms	1,10-Phenanthroline, 2-chloro-
IUPAC Name	2-chloro-1,10-phenanthroline
Molecular Weight	214.65
Molecular Formula	C12H7ClN2
Canonical SMILES	C1=CC2=C(C3=C(C=C2)C=CC(=N3)Cl)N=C1
InChI	InChI=1S/C12H7ClN2/c13-10-6-5-9-4-3-8-2-1-7-14-11(8)12(9)15-10/h1-7H
InChI Key	JHRMQHFRVPVGHL-UHFFFAOYSA-N
Boiling Point	391.8±22.0 ºC
Melting Point	130 ºC
Purity	99%+
Density	1.375 g/ml
Solubility	>32.2 [ug/mL];
Appearance	White to yellow to orange powder to crystal
Storage	Store under inert gas
Complexity	234
Covalently-Bonded Unit Count	1
Exact Mass	214.0297759
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
MDL Number	MFCD00185678
Monoisotopic Mass	214.0297759
Rotatable Bond Count	0
Topological Polar Surface Area	25.8 Ų

Q&A

What is the molecular formula of 2-Chloro-1,10-phenanthroline?

The molecular formula of 2-Chloro-1,10-phenanthroline is C12H7ClN2.

What is the molecular weight of 2-Chloro-1,10-phenanthroline?

The molecular weight of 2-Chloro-1,10-phenanthroline is 214.65 g/mol.

What is the IUPAC name of 2-Chloro-1,10-phenanthroline?

The IUPAC name of 2-Chloro-1,10-phenanthroline is 2-chloro-1,10-phenanthroline.

What is the InChI of 2-Chloro-1,10-phenanthroline?

The InChI of 2-Chloro-1,10-phenanthroline is InChI=1S/C12H7ClN2/c13-10-6-5-9-4-3-8-2-1-7-14-11(8)12(9)15-10/h1-7H.

What is the InChIKey of 2-Chloro-1,10-phenanthroline?

The InChIKey of 2-Chloro-1,10-phenanthroline is JHRMQHFRVPVGHL-UHFFFAOYSA-N.

What is the canonical SMILES representation of 2-Chloro-1,10-phenanthroline?

The canonical SMILES representation of 2-Chloro-1,10-phenanthroline is C1=CC2=C(C3=C(C=C2)C=CC(=N3)Cl)N=C1.

What is the Common Chemistry CAS number for 2-Chloro-1,10-phenanthroline?

The Common Chemistry CAS number for 2-Chloro-1,10-phenanthroline is 7089-68-1.

What is the XLogP3 value of 2-Chloro-1,10-phenanthroline?

The XLogP3 value of 2-Chloro-1,10-phenanthroline is 2.7.

How many hydrogen bond acceptors does 2-Chloro-1,10-phenanthroline have?

2-Chloro-1,10-phenanthroline has 2 hydrogen bond acceptors.

Is 2-Chloro-1,10-phenanthroline a canonicalized compound?

Yes, 2-Chloro-1,10-phenanthroline is a canonicalized compound.