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13214-58-9 | Ethane, 1-fluoro-1,1-dinitro-
CAS No: 13214-58-9 Catalog No: AG0010AL MDL No:
Product Description
Catalog Number:
AG0010AL
Chemical Name:
Ethane, 1-fluoro-1,1-dinitro-
CAS Number:
13214-58-9
Molecular Formula:
C2H3FN2O4
Molecular Weight:
138.0546
IUPAC Name:
1-fluoro-1,1-dinitroethane
InChI:
InChI=1S/C2H3FN2O4/c1-2(3,4(6)7)5(8)9/h1H3
InChI Key:
INUKSLQNFYBSOB-UHFFFAOYSA-N
SMILES:
CC([N+](=O)[O-])([N+](=O)[O-])F
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.008g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
138.054g/mol
Monoisotopic Mass:
138.008g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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