Home Nitros 1,3-Dimethyl 2-[2-nitro-5-(trifluoromethyl)phenyl]propanedioate

1,3-Dimethyl 2-[2-nitro-5-(trifluoromethyl)phenyl]propanedioate

CAS No.:
866039-51-2
Catalog Number:
AG00IPXV
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
- +
10g
98%
In Stock USA
United States
$450
- +
Product Description
Catalog Number:
AG00IPXV
Chemical Name:
1,3-Dimethyl 2-[2-nitro-5-(trifluoromethyl)phenyl]propanedioate
CAS Number:
866039-51-2
Molecular Formula:
C12H10F3NO6
Molecular Weight:
321.2061
MDL Number:
MFCD03787568
IUPAC Name:
dimethyl 2-[2-nitro-5-(trifluoromethyl)phenyl]propanedioate
InChI:
InChI=1S/C12H10F3NO6/c1-21-10(17)9(11(18)22-2)7-5-6(12(13,14)15)3-4-8(7)16(19)20/h3-5,9H,1-2H3
InChI Key:
XLFFYSUFEZLRHR-UHFFFAOYSA-N
SMILES:
COC(=O)C(c1cc(ccc1[N+](=O)[O-])C(F)(F)F)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