4-Methoxy-3-nitrobiphenyl

CAT: 0127-OR1021731Size: 1 EachDry Ice: NoHazardous: No

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CAT#:0127-OR1021731Size:1 Each

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CAS Number

15854-73-6

Purity

=95%

Smiles

COc1ccc(cc1[N+](=O)[O-])c2ccccc2

Chemical Information

1-Methoxy-2-nitro-4-phenylbenzene

CAS Number	15854-73-6
PubChem CID	615238
IUPAC Name	1-methoxy-2-nitro-4-phenylbenzene
Molecular Formula	C13H11NO3
Molecular Weight	229.23
XLogP	3.5
Topological Polar Surface Area	55.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	17
Formal Charge	0
Complexity	258

SMILES

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

InChI

InChI=1S/C13H11NO3/c1-17-13-8-7-11(9-12(13)14(15)16)10-5-3-2-4-6-10/h2-9H,1H3

InChIKey

HVYOIIIEAVPMCR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 15854-73-6

CID: 615238

Formula: C13H11NO3

MW: 229.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	229.23
XLogP3	3.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	229.07389321
Monoisotopic Mass	229.07389321
Topological Polar Surface Area	55.1 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	258
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
OR83522-01	3-Nitrobiphenyl-4-amine
OR26189-01	4-Nitrobiphenyl
OR908979-01	3-Nitrobiphenyl
OR1077516	4-Dimethylamino-4'-nitrobiphenyl
OR53159-01	4-Iodo-4'-nitrobiphenyl
OR53160-01	4-Bromo-4'-nitrobiphenyl
OR1038346-01	4- (3-Methoxy-4-nitrophenyl) morpholine
OR315365-01	4,4'-Dibromo-2-nitrobiphenyl
OR944697-01	(4-Methoxy-3-nitrophenyl) methanol
OR2841	4-Amino-4'-nitrobiphenyl sulphone

Catalog	Name
sc-280442	4-Methoxy-3-nitrobiphenyl
sc-486072	4-Methoxy-4'-nitrobiphenyl
sc-216963	4-Nitrobiphenyl
TRC-M323720-250MG	3-Methyl-4-nitrobiphenyl
sc-261995	4-Hydroxy-3-nitrobiphenyl
abx186279	3-nitrobiphenyl
N493711	4-Nitrobiphenyl-d9
sc-487375	4-Iodo-4'-nitrobiphenyl
sc-299529	4-Hydroxy-4'-nitrobiphenyl
sc-485828	4-Dimethylamino-4'-nitrobiphenyl