2-Nitrophenyl phenyl ether

CAT: 0024-sc-251793Size: 10 gDry Ice: NoHazardous: No

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CAT#:0024-sc-251793Size:10 g

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CAS Number

2216-12-8

Chemical Information

2-Nitrophenyl phenyl ether

structure in first source

CAS Number	2216-12-8
PubChem CID	16661
IUPAC Name	1-nitro-2-phenoxybenzene
Molecular Formula	C12H9NO3
Molecular Weight	215.20
XLogP	3.3
Topological Polar Surface Area	55.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	16
Formal Charge	0
Complexity	233

SMILES

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

InChI

InChI=1S/C12H9NO3/c14-13(15)11-8-4-5-9-12(11)16-10-6-2-1-3-7-10/h1-9H

InChIKey

VNHGETRQQSYUGZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2216-12-8

CID: 16661

Formula: C12H9NO3

MW: 215.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	215.20
XLogP3	3.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	215.058243149
Monoisotopic Mass	215.058243149
Topological Polar Surface Area	55.1 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	233
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-232927	4-Nitrophenyl phenyl ether
sc-252765A	Dodecyl 2-nitrophenyl ether
sc-252765B	Dodecyl 2-nitrophenyl ether
sc-230602	2-Nitrophenyl octyl ether
sc-252765C	Dodecyl 2-nitrophenyl ether
sc-252765	Dodecyl 2-nitrophenyl ether
sc-230602A	2-Nitrophenyl octyl ether
sc-206415	2-Bromoethyl-4-nitrophenyl Ether
sc-230604	2-Nitrophenyl phenyl sulfone
sc-213681	2- (Bromoethyl-d4) -4-nitrophenyl Ether

Catalog	Name
285830-01	4-Nitrophenyl phenyl ether
N11365	P-Nitrophenyl Phenyl Ether
233449-01	4-Nitrophenyl phenyl ether ≥97% (HPLC)
PC502833	2,6-Difluoro-4- (trifluoromethyl) phenyl 2-nitrophenyl ether
PC502835	2,6-Difluoro-4- (trifluoromethyl) phenyl 4-nitrophenyl ether
PC502834	2,6-Difluoro-4- (trifluoromethyl) phenyl 3-nitrophenyl ether
PC502733	2,6-Difluoro-4- (trifluoromethyl) phenyl 3-fluoro-2-nitrophenyl ether
PC502747	2,6-Difluoro-4- (trifluoromethyl) phenyl 2-fluoro-6-nitrophenyl ether
PC502740	2,6-Difluoro-4- (trifluoromethyl) phenyl 2-methyl-3-nitrophenyl ether
PC502744	2,6-Difluoro-4- (trifluoromethyl) phenyl 2-fluoro-5-nitrophenyl ether