4,4'-Dinitrostilbene

CAT: 0926-FD66097-02Size: 2 gDry Ice: NoHazardous: No

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CAT#:0926-FD66097-02Size:2 g

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CAS Number

2501-02-2

MDL Number

MFCD00017043

Smiles

[O-][N+] (=O) c1ccc (\C=C\c2ccc (cc2) [N+] (=O) [O-]) cc1

Molecular Formula

C14H10N2O4

Molecular Weight

270.24 g/mol

Controlled

Chemical Information

4,4'-Dinitrostilbene, (E)-

4,4'-Dinitrostilbene is a stilbenoid.

CAS Number	2501-02-2
PubChem CID	5377860
IUPAC Name	1-nitro-4-[(E)-2-(4-nitrophenyl)ethenyl]benzene
Molecular Formula	C14H10N2O4
Molecular Weight	270.24
XLogP	3.8
Topological Polar Surface Area	91.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	20
Formal Charge	0
Complexity	334

SMILES

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

InChI

InChI=1S/C14H10N2O4/c17-15(18)13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)16(19)20/h1-10H/b2-1+

InChIKey

CLVIIRIMEIEKOQ-OWOJBTEDSA-N

Chemical Structure

2D Structure

CAS: 2501-02-2

CID: 5377860

Formula: C14H10N2O4

MW: 270.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	270.24
XLogP3	3.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	270.06405680
Monoisotopic Mass	270.06405680
Topological Polar Surface Area	91.6 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	334
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
AAA46134	4,4,4-Trifluorobutanamide
FT77427	4,4,4-Trifluorovaline
JXB85075-01	4,4,4-Trifluorobutanethioamide
AAA40687	4,4,4-Trifluorobutanal
FCA23456-01	4- (4-Methoxyphenyl) -4-oxobutanenitrile
FT47010-01	4,4',4''-Trimethoxytrityl chloride
FE60063-01	Ethyl 4,4,4-Trichloroacetoacetate
HCA98858-01	4- (4'-Bromophenyl) -4-hydroxypiperidine
IC20325-01	4- (4-Chlorophenyl) -4-hydroxypiperidine
BAA53282-01	4- (4-Methylbenzenesulfonate) -4-isoquinolinol

Catalog	Name
sc-272666	Trans-4,4'-Dinitrostilbene
D47960	2,4-Dinitrostilbene
sc-485020	Disodium 4,4'-Dinitrostilbene-2,2'-disulfonate
D47973-01	4,4'-Dinitrostilbene-2,2'-disulfonic acid
PC5215	4,4,4,4',4',4'-Hexafluorovaline hydrochloride
PC6412	4,4,4-Trifluorobutyl 4,4,4-trifluorobutanoate
OR1011275-01	4,4',4'',4'''-Methanetetrayltetraphenol
OR1011273-01	4,4',4'',4'''-Methanetetrayltetrabenzaldehyde
OR1011238-01	4,4,4,4-Silanetetrayltetrabenzaldehyde
PC4810-01	4,4,4,4',4',4'-Hexafluoro-DL-valine