4-Methoxy-4'-nitrostilbene

CAT: 0024-sc-486071Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-486071Size:5 g

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CAS Number

1472-68-0

Chemical Information

trans-4'-Methoxy-4-nitrostilbene

(E)-1-Methoxy-4-[2-(4-nitrophenyl)ethenyl]benzene is a stilbenoid.

CAS Number	1472-68-0
PubChem CID	745105
IUPAC Name	1-[(E)-2-(4-methoxyphenyl)ethenyl]-4-nitrobenzene
Molecular Formula	C15H13NO3
Molecular Weight	255.27
XLogP	4.3
Topological Polar Surface Area	55.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	19
Formal Charge	0
Complexity	308

SMILES

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

InChI

InChI=1S/C15H13NO3/c1-19-15-10-6-13(7-11-15)3-2-12-4-8-14(9-5-12)16(17)18/h2-11H,1H3/b3-2+

InChIKey

PDFBJCRLHMEJQP-NSCUHMNNSA-N

Chemical Structure

2D Structure

CAS: 1472-68-0

CID: 745105

Formula: C15H13NO3

MW: 255.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	255.27
XLogP3	4.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	255.08954328
Monoisotopic Mass	255.08954328
Topological Polar Surface Area	55.1 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	308
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-487618	4-Nitrostilbene
sc-214235	4-Dimethylamino-4'-nitrostilbene
sc-267547	4-Hydroxy-4'-nitrostilbene
sc-478087	α-Nitrostilbene
sc-267221	4-Amino-4'-nitrostilbene-2,2'-disulfonic acid
sc-209904	4-Acetamido-4'-nitrostilbene-2,2'-disulfonic Acid Disodium Salt
sc-209931	4-Amino-4'-nitrostilbene-2,2'-disulfonic Acid Disodium Salt
sc-487890	4-Methoxy-4'-methyldiphenylamine
sc-486072	4-Methoxy-4'-nitrobiphenyl
sc-267604	4-Methoxy-4'-nitrobenzophenone

Catalog	Name
432122-01	4-Dimethylamino-4'-nitrostilbene
OR1043789-01	4-Hydroxy-4'-nitrostilbene
FH70233-01	4'-Hydroxy-4-nitrostilbene
OR1078408-01	Cis-4-Nitrostilbene
FH67491-01	3-Hydroxy-4'-nitrostilbene
FD67952-01	Trans-2,5-Dimethoxy-4'-nitrostilbene
BAA21507-01	±-Nitrostilbene
167194	α-Nitrostilbene
FA17587-01	4-Amino-4'-nitrostilbene-2,2'-disulfonic acid disodium
259327-01	4-Amino-4'-nitrostilbene-2,2'-disulfonic acid disodium salt