CAS 29632-74-4 | Benzenamine, 2-fluoro-4-iodo- | CAS Number 29632-74-4

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29632-74-4 | Benzenamine, 2-fluoro-4-iodo-

CAS No: 29632-74-4 Catalog No: AG002YXV MDL No:MFCD00011738

Product Description

Catalog Number:

AG002YXV

Chemical Name:

Benzenamine, 2-fluoro-4-iodo-

CAS Number:

29632-74-4

Molecular Formula:

C6H5FIN

Molecular Weight:

237.0135

MDL Number:

MFCD00011738

IUPAC Name:

2-fluoro-4-iodoaniline

InChI:

InChI=1S/C6H5FIN/c7-5-3-4(8)1-2-6(5)9/h1-3H,9H2

InChI Key:

CUMTUBVTKOYYOU-UHFFFAOYSA-N

SMILES:

Ic1ccc(c(c1)F)N

EC Number:

608-384-7

NSC Number:

146507

Properties

Complexity:

99.1

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

236.945g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

237.016g/mol

Monoisotopic Mass:

236.945g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

26A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
Metabolism of 2-fluoro-4-iodoaniline in earthworm Eisenia veneta using (19)F-NMR spectroscopy, HPLC-MS, and HPLC-ICPMS ((127)I).	Xenobiotica; the fate of foreign compounds in biological systems 20071201
High-performance liquid chromatography/inductively coupled plasma mass spectrometry with iodine-specific detection for profiling the metabolites produced in the earthworm Eisenia veneta by exposure to 2-fluoro-4-iodoaniline.	Rapid communications in mass spectrometry : RCM 20030101