4-Methoxy-1-nitro-2-phenoxybenzene

CAT: 0127-OR1098671-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1098671-01Size:250 mg

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CAS Number

875241-65-9

Purity

97%

Smiles

O (c1c ([N+] (=O) [O-]) ccc (OC) c1) c1ccccc1

Chemical Information

4-Methoxy-1-nitro-2-phenoxybenzene

CAS Number	875241-65-9
PubChem CID	58307250
IUPAC Name	4-methoxy-1-nitro-2-phenoxybenzene
Molecular Formula	C13H11NO4
Molecular Weight	245.23
XLogP	3.3
Topological Polar Surface Area	64.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	18
Formal Charge	0
Complexity	273

SMILES

COC1=CC(=C(C=C1)[N+](=O)[O-])OC2=CC=CC=C2

InChI

InChI=1S/C13H11NO4/c1-17-11-7-8-12(14(15)16)13(9-11)18-10-5-3-2-4-6-10/h2-9H,1H3

InChIKey

RQATWTDENKCFKO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 875241-65-9

CID: 58307250

Formula: C13H11NO4

MW: 245.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	245.23
XLogP3	3.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	245.06880783
Monoisotopic Mass	245.06880783
Topological Polar Surface Area	64.3 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	273
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
OR91171-01	4-Methoxy-2-nitro-1-phenoxybenzene
OR1098343-01	4-methyl-1-nitro-2-phenoxybenzene
OR1098307	2-chloro-4-nitro-1-phenoxybenzene
OR110478-01	2-Methyl-1-nitro-4-phenoxybenzene
OR1092906	4-Bromo-2-nitro-1-phenoxybenzene
OR1087664-01	4-methyl-2-nitro-1-phenoxybenzene
OR1064363-01	4-Chloro-2-nitro-1-phenoxybenzene
OR1085426-01	2-Methyl-4-nitro-1-phenoxybenzene
OR1085042-01	2-chloro-1-nitro-4-phenoxybenzene
OR1025314	1-Methoxy-4-Phenoxybenzene

Catalog	Name
AR-I01183-01	4-methoxy-2-nitro-1-phenoxybenzene
TRC-M496965-25MG	1-Methoxy-4-nitro-2-phenoxybenzene
GCA96661-01	4-Bromo-2-nitro-1-phenoxybenzene
AP KR 0032-01	1-ethenyl-3-methoxy-2-phenoxybenzene
MDA54548-01	1- (2-Bromoethoxy) -4-phenoxybenzene
AR-N01579-01	1,4-dinitro-2-phenoxybenzene
FM51563-01	4-Methoxy-2-nitro-benzaldehyde
DTA56074	2-Methoxy-4-nitro-1- (trifluoromethyl) benzene
TRC-I874788-10MG	2-Isopropyl-1-methoxy-4-nitro-benzene
sc-290382A	4-Methoxy-1-nitro-2- (trifluoromethyl) benzene