CAS 100-13-0 | 4-NITROSTYRENE97% | CAS Number 100-13-0

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100-13-0 | 4-NITROSTYRENE97%

CAS No: 100-13-0 Catalog No: AG00005V MDL No:MFCD00041254

Product Description

Catalog Number:

AG00005V

Chemical Name:

4-NITROSTYRENE97%

CAS Number:

100-13-0

Molecular Formula:

C8H7NO2

Molecular Weight:

149.1467

MDL Number:

MFCD00041254

IUPAC Name:

1-ethenyl-4-nitrobenzene

InChI:

InChI=1S/C8H7NO2/c1-2-7-3-5-8(6-4-7)9(10)11/h2-6H,1H2

InChI Key:

YFZHODLXYNDBSM-UHFFFAOYSA-N

SMILES:

C=Cc1ccc(cc1)[N+](=O)[O-]

Properties

Complexity:

154

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

149.048g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

149.149g/mol

Monoisotopic Mass:

149.048g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

45.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8

Literature

Title	Journal
Photobehavior of the geometrical isomers of two 1,4-distyrylbenzene analogues with side groups of different electron donor/acceptor character.	The journal of physical chemistry. A 20101014
Inactivation of epoxide hydrolase by catalysis-induced formation of isoaspartate.	FEBS letters 20080514
An experimental and theoretical study on the substituent effect of the permanganate oxidation of styrenes.	Organic & biomolecular chemistry 20030807
Synthesis of p, p'-divinylazobenzene.	Di 1 jun yi da xue xue bao = Academic journal of the first medical college of PLA 20030301