1- (2-Nitrophenoxy) naphthalene

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CAS Number

32219-13-9

MDL Number

MFCD03094669

Smiles

[O-][N+] (=O) c1ccccc1Oc2cccc3ccccc23

Chemical Information

1-(2-Nitrophenoxy)naphthalene

CAS Number	32219-13-9
PubChem CID	2737061
IUPAC Name	1-(2-nitrophenoxy)naphthalene
Molecular Formula	C16H11NO3
Molecular Weight	265.26
XLogP	4.5
Topological Polar Surface Area	55.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	20
Formal Charge	0
Complexity	341

SMILES

C1=CC=C2C(=C1)C=CC=C2OC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C16H11NO3/c18-17(19)14-9-3-4-10-16(14)20-15-11-5-7-12-6-1-2-8-13(12)15/h1-11H

InChIKey

VIDIKVBBTTXDOH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 32219-13-9

CID: 2737061

Formula: C16H11NO3

MW: 265.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	265.26
XLogP3	4.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	265.07389321
Monoisotopic Mass	265.07389321
Topological Polar Surface Area	55.1 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	341
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
sc-488275	2- (4-Nitrophenoxy) naphthalene
TRC-C384808-5G	2-(Chloromethyl)naphthalene
TRC-N756615-500MG	Naphthalene-2-sulfonohydrazide
sc-269945	Naphthalene-2-carboxamide
FB30097-01	2- (Bromomethyl) naphthalene
abx182930-01	2-(Bromomethyl)naphthalene
sc-265282	2- (Chloromethyl) naphthalene
sc-236154	Naphthalene-2-carbonitrile
FAA65114-01	Naphthalene-2-carboximidamide
sc-269946	Naphthalene-2-thiocarboxamide