±-Nitrostilbene

CAT: 0926-BAA21507-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0926-BAA21507-02Size:25 mg

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CAS Number

1215-07-2

MDL Number

MFCD00444588

Smiles

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

Molecular Formula

C14H11NO2

Molecular Weight

225.24 g/mol

Controlled

Chemical Information

Alpha-Nitrostilbene

CAS Number	1215-07-2
PubChem CID	2818500
IUPAC Name	[(Z)-2-nitro-2-phenylethenyl]benzene
Molecular Formula	C14H11NO2
Molecular Weight	225.24
XLogP	3.8
Topological Polar Surface Area	45.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	17
Formal Charge	0
Complexity	281

SMILES

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

InChI

InChI=1S/C14H11NO2/c16-15(17)14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-11H/b14-11-

InChIKey

QIFBVYLHLLTNLI-KAMYIIQDSA-N

Chemical Structure

2D Structure

CAS: 1215-07-2

CID: 2818500

Formula: C14H11NO2

MW: 225.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	225.24
XLogP3	3.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	225.078978594
Monoisotopic Mass	225.078978594
Topological Polar Surface Area	45.8 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	281
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
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432122-01	4-Dimethylamino-4'-nitrostilbene
OR1043789-01	4-Hydroxy-4'-nitrostilbene
sc-486071	4-Methoxy-4'-nitrostilbene
sc-267221	4-Amino-4'-nitrostilbene-2,2'-disulfonic acid
259327-01	4-Amino-4'-nitrostilbene-2,2'-disulfonic acid disodium salt
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A26190-01	4-Amino-4'-nitrostilbene-2,2'-disulfonic acid Tech. Grade