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3-(naphthalene-1-carbonyl)-1H-indole , CAS No.109555-87-5

COA

Cas Number: 109555-87-5
Molecular Weight: 271.32
PubChem CID: 10355825

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Item Number

N669704

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SKU	Size	Availability	Price	Qty
N669704-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$24.90
N669704-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$72.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Indoles and derivatives
    - Subclass Naphthoylindoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Indoles and derivatives
Subclass	Naphthoylindoles
Intermediate Tree Nodes	Not available
Direct Parent	Naphthoylindoles
Alternative Parents	Benzoylindoles Naphthalenecarboxylic acids and derivatives Indolecarboxylic acids and derivatives Indoles Aryl ketones Substituted pyrroles Vinylogous amides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Naphthoylindole - Benzoylindole - 1-naphthalenecarboxylic acid or derivatives - Indolecarboxylic acid derivative - Naphthalene - Indole - Aryl ketone - Substituted pyrrole - Benzenoid - Heteroaromatic compound - Pyrrole - Vinylogous amide - Ketone - Azacycle - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as naphthoylindoles. These are polycyclic compounds containing an indole moiety that is N-linked to the carboxamide group attached to naphthalene.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	1H-indol-3-yl(naphthalen-1-yl)methanone
INCHI	InChI=1S/C19H13NO/c21-19(17-12-20-18-11-4-3-9-15(17)18)16-10-5-7-13-6-1-2-8-14(13)16/h1-12,20H
InChIKey	QIXQGVQLBPQVOR-UHFFFAOYSA-N
Smiles	C1=CC2=C(C=C1)C(=CC=C2)C(=O)C3C4C(=CC=CC=4)NC=3
Isomeric SMILES	C1=CC=C2C(=C1)C=CC=C2C(=O)C3=CNC4=CC=CC=C43
PubChem CID	10355825
Molecular Weight	271.32

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	271.300 g/mol
XLogP3	5.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	271.1 Da
Monoisotopic Mass	271.1 Da
Topological Polar Surface Area	32.900 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	393.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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