CAS 19064-24-5 | Benzene, 1,3-difluoro-2-nitro- | CAS Number 19064-24-5

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19064-24-5 | Benzene, 1,3-difluoro-2-nitro-

CAS No: 19064-24-5 Catalog No: AG002EP2 MDL No:MFCD00192035

Product Description

Catalog Number:

AG002EP2

Chemical Name:

Benzene, 1,3-difluoro-2-nitro-

CAS Number:

19064-24-5

Molecular Formula:

C6H3F2NO2

Molecular Weight:

159.0903

MDL Number:

MFCD00192035

IUPAC Name:

1,3-difluoro-2-nitrobenzene

InChI:

InChI=1S/C6H3F2NO2/c7-4-2-1-3-5(8)6(4)9(10)11/h1-3H

InChI Key:

SSNCMIDZGFCTST-UHFFFAOYSA-N

SMILES:

[O-][N+](=O)c1c(F)cccc1F

EC Number:

242-793-8

Properties

Complexity:

149

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

159.013g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

159.092g/mol

Monoisotopic Mass:

159.013g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

45.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
Molecular structure, conformation, and potential to internal rotation of 2,6- and 3,5-difluoronitrobenzene studied by gas-phase electron diffraction and quantum chemical calculations.	The journal of physical chemistry. A 20080605
N-(n-Dec-yl)-4-nitro-aniline.	Acta crystallographica. Section E, Structure reports online 20080301