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Home Halogens 2-Amino-5-nitrobenzotrifluoride

2-Amino-5-nitrobenzotrifluoride

CAS No.:
121-01-7
Catalog Number:
AG003LUP
Molecular Formula:
C7H5F3N2O2
Molecular Weight:
206.1220
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$13
- +
25g
95%
In Stock USA
United States
$25
- +
100g
95%
In Stock USA
United States
$74
- +
500g
95%
In Stock USA
United States
$225
- +
Product Description
Catalog Number:
AG003LUP
Chemical Name:
2-Amino-5-nitrobenzotrifluoride
CAS Number:
121-01-7
Molecular Formula:
C7H5F3N2O2
Molecular Weight:
206.1220
MDL Number:
MFCD00007365
IUPAC Name:
4-nitro-2-(trifluoromethyl)aniline
InChI:
InChI=1S/C7H5F3N2O2/c8-7(9,10)5-3-4(12(13)14)1-2-6(5)11/h1-3H,11H2
InChI Key:
HOTZLWVITTVZGY-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(c(c1)C(F)(F)F)N
EC Number:
204-443-2
Properties
Complexity:
226  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.03g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
206.124g/mol
Monoisotopic Mass:
206.03g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Literature
Title Journal
Hydrogen bonding in C-substituted nitroanilines: molecular ladders in 2-trifluoromethyl-4-nitroaniline and sheets of R(4)(4)(12) and R(4)(4)(32) rings in 3-trifluoromethyl-4-nitroaniline. Acta crystallographica. Section C, Crystal structure communications 20020201
Properties