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16544-21-1 | 2-Propenoic acid, 2-fluoro-2,2-dinitroethyl ester
CAS No: 16544-21-1 Catalog No: AG001W53 MDL No:
Product Description
Catalog Number:
AG001W53
Chemical Name:
2-Propenoic acid, 2-fluoro-2,2-dinitroethyl ester
CAS Number:
16544-21-1
Molecular Formula:
C5H5FN2O6
Molecular Weight:
208.1014
IUPAC Name:
(2-fluoro-2,2-dinitroethyl) prop-2-enoate
InChI:
InChI=1S/C5H5FN2O6/c1-2-4(9)14-3-5(6,7(10)11)8(12)13/h2H,1,3H2
InChI Key:
SVLVXRRQKCWWRO-UHFFFAOYSA-N
SMILES:
C=CC(=O)OCC([N+](=O)[O-])([N+](=O)[O-])F
EC Number:
240-609-0
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.013g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.101g/mol
Monoisotopic Mass:
208.013g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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