Home Nitros Dimethyl 2-(4-nitro-2-trifluoromethylphenyl)malonate

Dimethyl 2-(4-nitro-2-trifluoromethylphenyl)malonate

CAS No.:
1300730-68-0
Catalog Number:
AG009WTJ
Molecular Formula:
C12H10F3NO6
Molecular Weight:
321.2061
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$100
- +
5g
98%
In Stock USA
United States
$300
- +
25g
98%
In Stock USA
United States
$900
- +
Product Description
Catalog Number:
AG009WTJ
Chemical Name:
Dimethyl 2-(4-nitro-2-trifluoromethylphenyl)malonate
CAS Number:
1300730-68-0
Molecular Formula:
C12H10F3NO6
Molecular Weight:
321.2061
MDL Number:
MFCD22689081
IUPAC Name:
dimethyl 2-[4-nitro-2-(trifluoromethyl)phenyl]propanedioate
InChI:
InChI=1S/C12H10F3NO6/c1-21-10(17)9(11(18)22-2)7-4-3-6(16(19)20)5-8(7)12(13,14)15/h3-5,9H,1-2H3
InChI Key:
UJDVQPIBEPTJNV-UHFFFAOYSA-N
SMILES:
COC(=O)C(c1ccc(cc1C(F)(F)F)[N+](=O)[O-])C(=O)OC
Properties
Complexity:
431  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.046g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.208g/mol
Monoisotopic Mass:
321.046g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
98.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties