Name: Name:3-Nitro-4-(phenylamino)benzonitrile
Brand: Angene
SKU: AG001WDT
Rating: 90 (10 reviews)

3-Nitro-4-(phenylamino)benzonitrile

CAS No.:

16588-23-1

Catalog Number:

AG001WDT

Molecular Formula:

C13H9N3O2

Molecular Weight:

239.2295

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

98%

In Stock USA

United States

$75

- +

98%

In Stock USA

United States

$225

- +

10g

98%

In Stock USA

United States

$350

- +

Product Description

Catalog Number:

AG001WDT

Chemical Name:

3-Nitro-4-(phenylamino)benzonitrile

CAS Number:

16588-23-1

Molecular Formula:

C13H9N3O2

Molecular Weight:

239.2295

MDL Number:

MFCD00768956

IUPAC Name:

4-anilino-3-nitrobenzonitrile

InChI:

InChI=1S/C13H9N3O2/c14-9-10-6-7-12(13(8-10)16(17)18)15-11-4-2-1-3-5-11/h1-8,15H

InChI Key:

FEQBPFGUGQALQK-UHFFFAOYSA-N

SMILES:

N#Cc1ccc(c(c1)[N+](=O)[O-])Nc1ccccc1

Properties

Complexity:

338

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

239.069g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

239.234g/mol

Monoisotopic Mass:

239.069g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

81.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.4

Literature

Title	Journal
4-Anilino-3-nitro-benzonitrile.	Acta crystallographica. Section E, Structure reports online 20101201