CAS 2106-02-7 | Benzenamine, 2-chloro-4-fluoro- | CAS Number 2106-02-7

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2106-02-7 | Benzenamine, 2-chloro-4-fluoro-

CAS No: 2106-02-7 Catalog No: AG002KWE MDL No:MFCD00042530

Product Description

Catalog Number:

AG002KWE

Chemical Name:

Benzenamine, 2-chloro-4-fluoro-

CAS Number:

2106-02-7

Molecular Formula:

C6H5ClFN

Molecular Weight:

145.5620

MDL Number:

MFCD00042530

IUPAC Name:

2-chloro-4-fluoroaniline

InChI:

InChI=1S/C6H5ClFN/c7-5-3-4(8)1-2-6(5)9/h1-3H,9H2

InChI Key:

XRAKCYJTJGTSMM-UHFFFAOYSA-N

SMILES:

Fc1ccc(c(c1)Cl)N

EC Number:

218-282-0

Properties

Complexity:

99.1

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

145.009g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

145.561g/mol

Monoisotopic Mass:

145.009g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

26A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4

Literature

Title	Journal
Understanding of the mass spectrometric fragmentation pathways of a few potentially genotoxic haloaniline isomers in their protonated form by collision-induced dissociation.	Journal of pharmaceutical and biomedical analysis 20111205
Investigation of the unique metabolic fate of ethyl (6R)-6- [N- (2-chloro-4-fluorophenyl) sulfamoyl] cyclohex-1-ene-1-carboxylate (TAK-242) in rats and dogs using two types of 14C-labeled compounds having different labeled positions.	Arzneimittel-Forschung 20110101