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Home > Fluorides > 123812-85-1
123812-85-1 | 1,3-Pentadiene, 5,5,5-trifluoro-, (3E)-
CAS No: 123812-85-1 Catalog No: AG000L4A MDL No:
Product Description
Catalog Number:
AG000L4A
Chemical Name:
1,3-Pentadiene, 5,5,5-trifluoro-, (3E)-
CAS Number:
123812-85-1
Molecular Formula:
C5H5F3
Molecular Weight:
122.0884
IUPAC Name:
1,1,2-trifluoropenta-1,3-diene
InChI:
InChI=1S/C5H5F3/c1-2-3-4(6)5(7)8/h2-3H,1H3
InChI Key:
GINRQJQYVSIGAP-UHFFFAOYSA-N
SMILES:
C=C/C=C/C(F)(F)F
Properties
Complexity:
120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
122.034g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
122.09g/mol
Monoisotopic Mass:
122.034g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2
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