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Home Other Building Blocks 2-Chloro-4-fluoroaniline

2-Chloro-4-fluoroaniline

CAS No.:
2106-02-7
Catalog Number:
AG002KWE
Molecular Formula:
C6H5ClFN
Molecular Weight:
145.5620
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$19
- +
100g
98%
In Stock USA
United States
$63
- +
500g
98%
In Stock USA
United States
$250
- +
Product Description
Catalog Number:
AG002KWE
Chemical Name:
2-Chloro-4-fluoroaniline
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:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.009g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
145.561g/mol
Monoisotopic Mass:
145.009g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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
Properties