Home Other Building Blocks 4-Chloro-2-(trifluoroacetyl)aniline, HCl hydrate

4-Chloro-2-(trifluoroacetyl)aniline, HCl hydrate

CAS No.:
173676-59-0
Catalog Number:
AG001Z3F
Molecular Formula:
C8H6Cl2F3NO
Molecular Weight:
260.0405
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$15
- +
5g
96%
In Stock USA
United States
$30
- +
25g
96%
In Stock USA
United States
$60
- +
Product Description
Catalog Number:
AG001Z3F
Chemical Name:
4-Chloro-2-(trifluoroacetyl)aniline, HCl hydrate
CAS Number:
173676-59-0
Molecular Formula:
C8H6Cl2F3NO
Molecular Weight:
260.0405
MDL Number:
MFCD09263480
IUPAC Name:
1-(2-amino-5-chlorophenyl)-2,2,2-trifluoroethanone;hydrate;hydrochloride
InChI:
InChI=1S/C8H5ClF3NO.ClH.H2O/c9-4-1-2-6(13)5(3-4)7(14)8(10,11)12;;/h1-3H,13H2;1H;1H2
InChI Key:
FUYMYLYDBVWEHG-UHFFFAOYSA-N
SMILES:
O=C(C(F)(F)F)c1cc(Cl)ccc1N.Cl
EC Number:
605-687-6
Properties
Complexity:
231  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.988g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
278.052g/mol
Monoisotopic Mass:
276.988g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties