CAS 372-39-4 | 3,5-Difluoroaniline | CAS Number 372-39-4

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372-39-4 | 3,5-Difluoroaniline

CAS No: 372-39-4 Catalog No: AG003IMQ MDL No:MFCD00007763

Product Description

Catalog Number:

AG003IMQ

Chemical Name:

3,5-Difluoroaniline

CAS Number:

372-39-4

Molecular Formula:

C6H5F2N

Molecular Weight:

129.1074

MDL Number:

MFCD00007763

IUPAC Name:

3,5-difluoroaniline

InChI:

InChI=1S/C6H5F2N/c7-4-1-5(8)3-6(9)2-4/h1-3H,9H2

InChI Key:

KQOIBXZRCYFZSO-UHFFFAOYSA-N

SMILES:

Nc1cc(F)cc(c1)F

EC Number:

206-752-8

NSC Number:

81289

Properties

Complexity:

87.1

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

129.039g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

129.11g/mol

Monoisotopic Mass:

129.039g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

26A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4

Literature

Title	Journal
Pyridazine-bridged copper(I) complexes of bis-bidentate ligands: tetranuclear [2 x 2] grid versus dinuclear side-by-side architectures as a function of ligand substituents.	Dalton transactions (Cambridge, England : 2003) 20070514
Metabonomic assessment of toxicity of 4-fluoroaniline, 3,5-difluoroaniline and 2-fluoro-4-methylaniline to the earthworm Eisenia veneta (Rosa): identification of new endogenous biomarkers.	Environmental toxicology and chemistry 20020901