3-nitroperylene

CAT: 1299-RG-E140519-03Size: 50 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-E140519-03Size:50 mg

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CAS Number

20589-63-3

Synonyms

3-nitroperylene

Molecular Formula

C20H11NO2

Molecular Weight

297.31

Product Name Synonym

3-nitroperylene

Chemical Information

3-Nitroperylene

3-Nitroperylene is a member of phenanthrenes.

CAS Number	20589-63-3
PubChem CID	62743
IUPAC Name	3-nitroperylene
Molecular Formula	C20H11NO2
Molecular Weight	297.3
XLogP	6.1
Topological Polar Surface Area	45.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	23
Formal Charge	0
Complexity	487

SMILES

C1=CC2=C3C(=C1)C4=C5C(=CC=C4)C(=CC=C5C3=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H11NO2/c22-21(23)18-11-10-16-14-7-2-5-12-4-1-6-13(19(12)14)15-8-3-9-17(18)20(15)16/h1-11H

InChIKey

QZJXXFWGAGHMGG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 20589-63-3

CID: 62743

Formula: C20H11NO2

MW: 297.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	297.3
XLogP3	6.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	297.078978594
Monoisotopic Mass	297.078978594
Topological Polar Surface Area	45.8 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	487
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RG-F122148-01	3- (3-Fluorophenyl) -3-Oxopropanenitrile
RG-E140863-01	3,3'-bipyridine
RG-A262872-01	3,3′-Biphthalide
RG-E140739-01	3,3'-Diaminodipropylamine
RG-E141213-01	3,3'-Diindolylmethane
RG-P022549-01	3,3'-Oxydiphenol
RG-D090525-01	3,3-Diethoxypropanenitrile
RG-E141560-01	3-amino-3,3-dicyanopropanoic acid
RG-P081503-01	3,3',3''-Phosphinetriyltripropanoic Acid Hydrochloride
RG-E141562-01	3-amino-3,3-dicyano-2-oxopropanamide

Catalog	Name
REPAH3502	PAH Std 3-Nitroperylene 100ug/mL in Toluene - 1ML
REPAH3501	PAH Std 1-Nitroperylene 100ug/mL in Toluene - 1ML
PC6825	3,3,3-Trifluoropropyl 3,3,3-trifluoropropanoate
QMC01729-01	3- (3,3,3-Trifluoropropoxy) pyridine
JFC42829-01	3- (3,3,3-Trifluoropropyl) aniline
sc-260433	3- (3,3,3-Trifluoropropyl) heptamethyltrisiloxane
PDC53711-01	3- (3,3,3-Trifluoropropoxy) piperidine
NU-456L	3',3',3'-cAAG
JMB17199-01	3,3,3-Trifluoropropanehydrazide
sc-261129	3,3,3-Trifluoropropionitrile