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102407-96-5 | Propanoic acid, 2-methyl-, 2-fluoro-2,2-dinitroethyl ester
CAS No: 102407-96-5 Catalog No: AG0007DZ MDL No:
Product Description
Catalog Number:
AG0007DZ
Chemical Name:
Propanoic acid, 2-methyl-, 2-fluoro-2,2-dinitroethyl ester
CAS Number:
102407-96-5
Molecular Formula:
C6H9FN2O6
Molecular Weight:
224.1439
IUPAC Name:
(2-fluoro-2,2-dinitroethyl) 2-methylpropanoate
InChI:
InChI=1S/C6H9FN2O6/c1-4(2)5(10)15-3-6(7,8(11)12)9(13)14/h4H,3H2,1-2H3
InChI Key:
IPYXLIOKEQVIHJ-UHFFFAOYSA-N
SMILES:
CC(C(=O)OCC([N+](=O)[O-])([N+](=O)[O-])F)C
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.044g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.144g/mol
Monoisotopic Mass:
224.044g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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