200,000+ products from a single source!
sales@angenechem.com
123658-15-1 | Acetic acid, 2,2,2-trifluoro-, (2,6-dinitrophenyl)methyl ester
CAS No: 123658-15-1 Catalog No: AG000KXQ MDL No:
Product Description
Catalog Number:
AG000KXQ
Chemical Name:
Acetic acid, 2,2,2-trifluoro-, (2,6-dinitrophenyl)methyl ester
CAS Number:
123658-15-1
Molecular Formula:
C9H5F3N2O6
Molecular Weight:
294.1410
IUPAC Name:
(2,6-dinitrophenyl)methyl 2,2,2-trifluoroacetate
InChI:
InChI=1S/C9H5F3N2O6/c10-9(11,12)8(15)20-4-5-6(13(16)17)2-1-3-7(5)14(18)19/h1-3H,4H2
InChI Key:
MUXOMMNWJLSDAC-UHFFFAOYSA-N
SMILES:
O=C(C(F)(F)F)OCc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.01g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.142g/mol
Monoisotopic Mass:
294.01g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.