2-Phenylquinoline

Catalog Number	ACM612964-1
CAS	612-96-4
Structure
Synonyms	Quinoline, 2-Phenyl-
IUPAC Name	2-phenylquinoline
Molecular Weight	205.25
Molecular Formula	C15H11N
Canonical SMILES	C1=CC=C(C=C1)C2=NC3=CC=CC=C3C=C2
InChI	FSEXLNMNADBYJU-UHFFFAOYSA-N
InChI Key	InChI=1S/C15H11N/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15/h1-11H
Boiling Point	363.0 °C
Melting Point	84-85 °C-lit.
Purity	99%
Appearance	White powder
Complexity	220
Covalently-Bonded Unit Count	1
EC Number	210-326-7
Exact Mass	205.089149g/mol
Formal Charge	0
Heavy Atom Count	16
Isomeric SMILES	C1=CC=C(C=C1)C2=NC3=CC=CC=C3C=C2
Monoisotopic Mass	205.089149g/mol
Rotatable Bond Count	1

Q&A

What is the molecular formula of 2-Phenylquinoline?

The molecular formula of 2-Phenylquinoline is C15H11N.

What is the molecular weight of 2-Phenylquinoline?

The molecular weight of 2-Phenylquinoline is 205.25 g/mol.

How is the IUPAC name of 2-Phenylquinoline computed?

The IUPAC name of 2-Phenylquinoline is computed by Lexichem TK 2.7.0.

What is the InChI of 2-Phenylquinoline?

The InChI of 2-Phenylquinoline is "InChI=1S/C15H11N/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15/h1-11H".

What is the InChIKey of 2-Phenylquinoline?

The InChIKey of 2-Phenylquinoline is "FSEXLNMNADBYJU-UHFFFAOYSA-N".

What is the canonical SMILES representation of 2-Phenylquinoline?

The canonical SMILES representation of 2-Phenylquinoline is "C1=CC=C(C=C1)C2=NC3=CC=CC=C3C=C2".

What is the CAS number of 2-Phenylquinoline?

The CAS number of 2-Phenylquinoline is 612-96-4.

What is the EC number of 2-Phenylquinoline?

The EC number of 2-Phenylquinoline is 210-326-7.

What is the ChEMBL ID of 2-Phenylquinoline?

The ChEMBL ID of 2-Phenylquinoline is CHEMBL89786.

What is the XLogP3 value of 2-Phenylquinoline?

The XLogP3 value of 2-Phenylquinoline is 3.9.