Home Nitros Methyl 3-nitro-4-trifluoromethylbenzoate

Methyl 3-nitro-4-trifluoromethylbenzoate

CAS No.:
126541-81-9
Catalog Number:
AG000SWM
Molecular Formula:
C9H6F3NO4
Molecular Weight:
249.1434
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$62
- +
5g
98%
In Stock USA
United States
$144
- +
25g
98%
In Stock USA
United States
$437
- +
Product Description
Catalog Number:
AG000SWM
Chemical Name:
Methyl 3-nitro-4-trifluoromethylbenzoate
CAS Number:
126541-81-9
Molecular Formula:
C9H6F3NO4
Molecular Weight:
249.1434
MDL Number:
MFCD09264510
IUPAC Name:
methyl 3-nitro-4-(trifluoromethyl)benzoate
InChI:
InChI=1S/C9H6F3NO4/c1-17-8(14)5-2-3-6(9(10,11)12)7(4-5)13(15)16/h2-4H,1H3
InChI Key:
DKARPFALPFVMPB-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)[N+](=O)[O-])C(F)(F)F
Properties
Complexity:
312  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.025g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.145g/mol
Monoisotopic Mass:
249.025g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties