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Home > Fluorides > 113689-60-4
113689-60-4 | 1-Propene, 1,3-difluoro-1,3,3-trinitro-
CAS No: 113689-60-4 Catalog No: AG0009CM MDL No:
Product Description
Catalog Number:
AG0009CM
Chemical Name:
1-Propene, 1,3-difluoro-1,3,3-trinitro-
CAS Number:
113689-60-4
Molecular Formula:
C3HF2N3O6
Molecular Weight:
213.0533
IUPAC Name:
1,3-difluoro-1,3,3-trinitroprop-1-ene
InChI:
InChI=1S/C3HF2N3O6/c4-2(6(9)10)1-3(5,7(11)12)8(13)14/h1H
InChI Key:
WPVKZEREDNAUNX-UHFFFAOYSA-N
SMILES:
FC(=CC([N+](=O)[O-])([N+](=O)[O-])F)[N+](=O)[O-]
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.983g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.053g/mol
Monoisotopic Mass:
212.983g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1
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