4- (4-Nitrophenoxy) phenol

CAT: 0024-sc-460768Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-460768Size:100 mg

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CAS Number

22479-78-3

Chemical Information

4-(4-Nitrophenoxy)phenol

structure given in first source

CAS Number	22479-78-3
PubChem CID	152450
IUPAC Name	4-(4-nitrophenoxy)phenol
Molecular Formula	C12H9NO4
Molecular Weight	231.20
XLogP	3.5
Topological Polar Surface Area	75.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	17
Formal Charge	0
Complexity	250

SMILES

C1=CC(=CC=C1[N+](=O)[O-])OC2=CC=C(C=C2)O

InChI

InChI=1S/C12H9NO4/c14-10-3-7-12(8-4-10)17-11-5-1-9(2-6-11)13(15)16/h1-8,14H

InChIKey

DCCDSAOUQRQDEL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 22479-78-3

CID: 152450

Formula: C12H9NO4

MW: 231.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	231.20
XLogP3	3.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	231.05315777
Monoisotopic Mass	231.05315777
Topological Polar Surface Area	75.3 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	250
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-284042	4- (4-Nitrophenoxy) aniline
sc-284042A	4- (4-Nitrophenoxy) aniline
sc-226390	4- (4-Nitrophenoxy) benzaldehyde
sc-336260	4-[4- (4-Nitrophenoxy) phenyl]thiazol-2-ylamine
sc-289531A	4- (4-Nitrophenoxy) phenylboronic acid
sc-299285	4- (4-Nitrophenoxy) piperidine hydrochloride
sc-226391	4- (4-Nitrophenoxy) benzoic acid
sc-299285A	4- (4-Nitrophenoxy) piperidine hydrochloride
sc-289531	4- (4-Nitrophenoxy) phenylboronic acid
sc-284370	(4-nitrophenoxy) acetic acid

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