Home Nitros N-(2,2,2-Trifluoroethyl) 4-nitrobenzamide

N-(2,2,2-Trifluoroethyl) 4-nitrobenzamide

CAS No.:
365425-94-1
Catalog Number:
AG00CLO0
Molecular Formula:
C9H7F3N2O3
Molecular Weight:
248.1587
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$188
- +
5g
98%
In Stock USA
United States
$675
- +
Product Description
Catalog Number:
AG00CLO0
Chemical Name:
N-(2,2,2-Trifluoroethyl) 4-nitrobenzamide
CAS Number:
365425-94-1
Molecular Formula:
C9H7F3N2O3
Molecular Weight:
248.1587
MDL Number:
MFCD07850267
IUPAC Name:
4-nitro-N-(2,2,2-trifluoroethyl)benzamide
InChI:
InChI=1S/C9H7F3N2O3/c10-9(11,12)5-13-8(15)6-1-3-7(4-2-6)14(16)17/h1-4H,5H2,(H,13,15)
InChI Key:
LNOQWKNOCVOCDX-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)[N+](=O)[O-])NCC(F)(F)F
Properties
Complexity:
293  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.041g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
248.161g/mol
Monoisotopic Mass:
248.041g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties