Home Nitros Methyl 2-nitro-4-(trifluoromethyl)benzoate

Methyl 2-nitro-4-(trifluoromethyl)benzoate

CAS No.:
228418-45-9
Catalog Number:
AG00BEEM
Molecular Formula:
C9H6F3NO4
Molecular Weight:
249.1434
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$38
- +
5g
98%
In Stock USA
United States
$188
- +
25g
98%
In Stock USA
United States
$563
- +
Product Description
Catalog Number:
AG00BEEM
Chemical Name:
Methyl 2-nitro-4-(trifluoromethyl)benzoate
CAS Number:
228418-45-9
Molecular Formula:
C9H6F3NO4
Molecular Weight:
249.1434
MDL Number:
MFCD08282772
IUPAC Name:
methyl 2-nitro-4-(trifluoromethyl)benzoate
InChI:
InChI=1S/C9H6F3NO4/c1-17-8(14)6-3-2-5(9(10,11)12)4-7(6)13(15)16/h2-4H,1H3
InChI Key:
WYTRZKAYPKZGCN-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1[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